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/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/YFV-55368a0e/inputs/seq.fa: 1
curr_seq: _UGACACCAGAGCAAAGGAUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGACACCAGAGCAAAGGAUCC
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 21 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 110
n_atoms_counter: 110
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 21.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -79.023143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.023143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.023143 (E_RNA)
where:
Base-Base interactions energy: -0.841
where: short stacking energy: -0.841
Base-Backbone interact. energy: -0.000
local terms energy: -78.182437
where:
bonds (distance) C4'-P energy: -20.403
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -5.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -141.009261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.009261 (E_RNA)
where:
Base-Base interactions energy: -73.965
where: short stacking energy: -48.444
Base-Backbone interact. energy: -1.061
local terms energy: -65.983256
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -126.391939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.391939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.391939 (E_RNA)
where:
Base-Base interactions energy: -62.384
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.021
local terms energy: -63.987152
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -14.086
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -122.992779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.992779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.992779 (E_RNA)
where:
Base-Base interactions energy: -56.662
where: short stacking energy: -39.449
Base-Backbone interact. energy: -0.263
local terms energy: -66.067477
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -159.009035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.009035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.009035 (E_RNA)
where:
Base-Base interactions energy: -96.637
where: short stacking energy: -50.575
Base-Backbone interact. energy: -0.091
local terms energy: -62.281876
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -136.145071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.145071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.145071 (E_RNA)
where:
Base-Base interactions energy: -72.000
where: short stacking energy: -43.892
Base-Backbone interact. energy: -0.158
local terms energy: -63.987145
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -103.971677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.971677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.971677 (E_RNA)
where:
Base-Base interactions energy: -45.356
where: short stacking energy: -44.550
Base-Backbone interact. energy: -0.014
local terms energy: -58.601309
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -4.584
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -90.688820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.688820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.688820 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -25.555
Base-Backbone interact. energy: -0.204
local terms energy: -59.127406
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -80.526608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526608 (E_RNA)
where:
Base-Base interactions energy: -28.862
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.197
local terms energy: -51.467285
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.739
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -3.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -83.989120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.989120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.989120 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -29.610
Base-Backbone interact. energy: 0.209
local terms energy: -53.879868
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -78.430948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430948 (E_RNA)
where:
Base-Base interactions energy: -2.767
where: short stacking energy: -2.767
Base-Backbone interact. energy: -0.000
local terms energy: -75.664249
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -17.215
tors. eta vs tors. theta energy: -4.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -184.140068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140068 (E_RNA)
where:
Base-Base interactions energy: -109.341
where: short stacking energy: -63.830
Base-Backbone interact. energy: -0.700
local terms energy: -74.099107
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -130.838461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.838461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.838461 (E_RNA)
where:
Base-Base interactions energy: -69.485
where: short stacking energy: -49.967
Base-Backbone interact. energy: -0.074
local terms energy: -61.280123
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -9.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -113.735142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.735142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.735142 (E_RNA)
where:
Base-Base interactions energy: -57.942
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.781
local terms energy: -55.012184
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -136.132407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.132407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.132407 (E_RNA)
where:
Base-Base interactions energy: -78.620
where: short stacking energy: -36.901
Base-Backbone interact. energy: -0.855
local terms energy: -56.657170
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -8.920
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: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -155.946957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.946957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.946957 (E_RNA)
where:
Base-Base interactions energy: -96.547
where: short stacking energy: -45.695
Base-Backbone interact. energy: -0.273
local terms energy: -59.126042
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -10.329
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -97.834849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.834849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.834849 (E_RNA)
where:
Base-Base interactions energy: -44.107
where: short stacking energy: -39.231
Base-Backbone interact. energy: -0.280
local terms energy: -53.447671
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -4.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -85.044683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.044683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.044683 (E_RNA)
where:
Base-Base interactions energy: -29.484
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.132
local terms energy: -55.429467
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -86.129157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129157 (E_RNA)
where:
Base-Base interactions energy: -29.088
where: short stacking energy: -29.088
Base-Backbone interact. energy: -0.267
local terms energy: -56.774643
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -9.787
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: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -78.506986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.506986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.506986 (E_RNA)
where:
Base-Base interactions energy: -25.439
where: short stacking energy: -23.796
Base-Backbone interact. energy: -0.223
local terms energy: -52.845386
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -78.720258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720258 (E_RNA)
where:
Base-Base interactions energy: -29.972
where: short stacking energy: -29.972
Base-Backbone interact. energy: -0.024
local terms energy: -48.724428
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -2.679
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -173.109261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.109261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.109261 (E_RNA)
where:
Base-Base interactions energy: -100.674
where: short stacking energy: -60.903
Base-Backbone interact. energy: -0.015
local terms energy: -72.420104
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -16.839
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: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -145.051030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.051030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.051030 (E_RNA)
where:
Base-Base interactions energy: -77.233
where: short stacking energy: -59.626
Base-Backbone interact. energy: -0.110
local terms energy: -67.707286
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -120.727524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.727524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.727524 (E_RNA)
where:
Base-Base interactions energy: -59.832
where: short stacking energy: -50.259
Base-Backbone interact. energy: -0.125
local terms energy: -60.770909
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -11.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -123.662524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.662524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.662524 (E_RNA)
where:
Base-Base interactions energy: -54.740
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.434
local terms energy: -68.488566
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -11.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -167.451450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.451450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.451450 (E_RNA)
where:
Base-Base interactions energy: -102.916
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.003
local terms energy: -64.532471
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -110.954088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.954088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.954088 (E_RNA)
where:
Base-Base interactions energy: -48.451
where: short stacking energy: -48.451
Base-Backbone interact. energy: -0.001
local terms energy: -62.502731
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -12.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -84.765119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765119 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -30.262
Base-Backbone interact. energy: -0.552
local terms energy: -52.204418
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -84.133689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.133689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.133689 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -16.651
Base-Backbone interact. energy: -0.124
local terms energy: -49.637004
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: 3.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -78.862617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.862617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.862617 (E_RNA)
where:
Base-Base interactions energy: -28.856
where: short stacking energy: -23.950
Base-Backbone interact. energy: -0.471
local terms energy: -49.535275
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.934
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: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -93.071693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.071693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.071693 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -31.726
Base-Backbone interact. energy: -0.198
local terms energy: -45.989832
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -171.691099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.691099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.691099 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.041
local terms energy: -76.587585
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -14.813
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -130.252330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.252330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.252330 (E_RNA)
where:
Base-Base interactions energy: -61.388
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.109
local terms energy: -68.755252
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -120.704639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.704639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.704639 (E_RNA)
where:
Base-Base interactions energy: -58.042
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.605
local terms energy: -62.057562
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -11.555
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -158.211116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.211116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.211116 (E_RNA)
where:
Base-Base interactions energy: -92.486
where: short stacking energy: -49.697
Base-Backbone interact. energy: -0.044
local terms energy: -65.681252
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -11.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -153.265392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.265392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.265392 (E_RNA)
where:
Base-Base interactions energy: -94.482
where: short stacking energy: -46.624
Base-Backbone interact. energy: -0.518
local terms energy: -58.265619
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -6.969
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: -95.471875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.471875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.471875 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -39.025
Base-Backbone interact. energy: 1.002
local terms energy: -56.292361
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -89.582804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.582804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.582804 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.292
local terms energy: -46.307032
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: 2.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -96.052766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.052766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.052766 (E_RNA)
where:
Base-Base interactions energy: -54.506
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.218
local terms energy: -41.329019
where:
bonds (distance) C4'-P energy: -6.518
bonds (distance) P-C4' energy: -7.382
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.506
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: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -82.416774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.416774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.416774 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -17.611
Base-Backbone interact. energy: 1.531
local terms energy: -47.917776
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: 2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -78.922366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.922366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.922366 (E_RNA)
where:
Base-Base interactions energy: -29.441
where: short stacking energy: -27.964
Base-Backbone interact. energy: -0.269
local terms energy: -49.211775
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -6.797
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: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -182.893555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.893555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.893555 (E_RNA)
where:
Base-Base interactions energy: -112.932
where: short stacking energy: -65.605
Base-Backbone interact. energy: -0.011
local terms energy: -69.950364
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -129.145566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.145566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.145566 (E_RNA)
where:
Base-Base interactions energy: -61.196
where: short stacking energy: -48.929
Base-Backbone interact. energy: -0.141
local terms energy: -67.808549
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -160.371358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.371358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.371358 (E_RNA)
where:
Base-Base interactions energy: -98.731
where: short stacking energy: -56.185
Base-Backbone interact. energy: -0.110
local terms energy: -61.529931
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -5.702
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -127.844022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.844022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.844022 (E_RNA)
where:
Base-Base interactions energy: -63.205
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.108
local terms energy: -64.531162
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -10.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -155.516380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.516380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.516380 (E_RNA)
where:
Base-Base interactions energy: -93.009
where: short stacking energy: -49.933
Base-Backbone interact. energy: -0.397
local terms energy: -62.109918
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -11.335
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: 6, replica: 9
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -108.163871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.163871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.163871 (E_RNA)
where:
Base-Base interactions energy: -53.517
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.769
local terms energy: -53.877549
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -105.173457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.173457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.173457 (E_RNA)
where:
Base-Base interactions energy: -52.357
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.234
local terms energy: -52.582217
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -11.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -129.898735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.898735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.898735 (E_RNA)
where:
Base-Base interactions energy: -68.736
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.100
local terms energy: -61.062280
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -90.383231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.383231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.383231 (E_RNA)
where:
Base-Base interactions energy: -37.600
where: short stacking energy: -37.600
Base-Backbone interact. energy: -0.056
local terms energy: -52.726846
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -10.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -78.441967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.441967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.441967 (E_RNA)
where:
Base-Base interactions energy: -27.139
where: short stacking energy: -25.814
Base-Backbone interact. energy: -0.046
local terms energy: -51.256838
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -5.074
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -181.494054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.494054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.494054 (E_RNA)
where:
Base-Base interactions energy: -106.773
where: short stacking energy: -63.081
Base-Backbone interact. energy: -0.506
local terms energy: -74.215179
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -182.600186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600186 (E_RNA)
where:
Base-Base interactions energy: -108.686
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.000
local terms energy: -73.914347
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -20.122
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: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -111.511083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.511083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.511083 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -40.195
Base-Backbone interact. energy: -0.174
local terms energy: -68.396225
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -154.578453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.578453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.578453 (E_RNA)
where:
Base-Base interactions energy: -84.649
where: short stacking energy: -51.529
Base-Backbone interact. energy: -0.025
local terms energy: -69.905090
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -6.134
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -156.273183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.273183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.273183 (E_RNA)
where:
Base-Base interactions energy: -88.525
where: short stacking energy: -46.622
Base-Backbone interact. energy: -0.507
local terms energy: -67.241080
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -101.891820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.891820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.891820 (E_RNA)
where:
Base-Base interactions energy: -46.732
where: short stacking energy: -38.463
Base-Backbone interact. energy: -0.233
local terms energy: -54.927313
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -98.157718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.157718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.157718 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -38.205
Base-Backbone interact. energy: 0.563
local terms energy: -50.395709
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -3.588
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -136.014541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.014541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.014541 (E_RNA)
where:
Base-Base interactions energy: -82.929
where: short stacking energy: -38.975
Base-Backbone interact. energy: -0.659
local terms energy: -52.425842
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -5.860
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -81.464299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.464299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.464299 (E_RNA)
where:
Base-Base interactions energy: -31.290
where: short stacking energy: -21.805
Base-Backbone interact. energy: -0.186
local terms energy: -49.988290
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -82.902500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.902500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.902500 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.315
local terms energy: -47.936686
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -189.685975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.685975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.685975 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -61.463
Base-Backbone interact. energy: -0.018
local terms energy: -75.944581
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -172.464830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464830 (E_RNA)
where:
Base-Base interactions energy: -103.341
where: short stacking energy: -61.570
Base-Backbone interact. energy: -0.037
local terms energy: -69.086774
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -170.000164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.000164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.000164 (E_RNA)
where:
Base-Base interactions energy: -91.013
where: short stacking energy: -49.967
Base-Backbone interact. energy: -0.110
local terms energy: -78.876651
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -100.128044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.128044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.128044 (E_RNA)
where:
Base-Base interactions energy: -44.361
where: short stacking energy: -44.361
Base-Backbone interact. energy: -0.045
local terms energy: -55.722121
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -163.145982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.145982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.145982 (E_RNA)
where:
Base-Base interactions energy: -97.588
where: short stacking energy: -60.347
Base-Backbone interact. energy: -0.023
local terms energy: -65.535302
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -110.439788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.439788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.439788 (E_RNA)
where:
Base-Base interactions energy: -52.156
where: short stacking energy: -41.935
Base-Backbone interact. energy: 0.354
local terms energy: -58.637841
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -87.602149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602149 (E_RNA)
where:
Base-Base interactions energy: -41.249
where: short stacking energy: -18.141
Base-Backbone interact. energy: -1.100
local terms energy: -45.252536
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: 1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -77.901344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.901344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.901344 (E_RNA)
where:
Base-Base interactions energy: -28.963
where: short stacking energy: -22.423
Base-Backbone interact. energy: -0.212
local terms energy: -48.726666
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -84.504479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.504479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.504479 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.103
local terms energy: -52.477069
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -71.135223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.135223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.135223 (E_RNA)
where:
Base-Base interactions energy: -25.875
where: short stacking energy: -25.875
Base-Backbone interact. energy: -0.207
local terms energy: -45.053772
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -4.319
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -184.407677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.407677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.407677 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.007
local terms energy: -61.696863
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -11.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -160.790227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.790227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.790227 (E_RNA)
where:
Base-Base interactions energy: -89.689
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.093
local terms energy: -71.007745
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -19.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -179.037454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.037454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.037454 (E_RNA)
where:
Base-Base interactions energy: -106.732
where: short stacking energy: -64.983
Base-Backbone interact. energy: -0.001
local terms energy: -72.304568
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -10.147
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: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -171.939715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.939715 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -51.239
Base-Backbone interact. energy: -0.396
local terms energy: -66.704307
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -12.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -101.279701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.279701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.279701 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -32.320
Base-Backbone interact. energy: -1.129
local terms energy: -59.154614
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -146.223632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.223632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.223632 (E_RNA)
where:
Base-Base interactions energy: -93.281
where: short stacking energy: -45.333
Base-Backbone interact. energy: -0.169
local terms energy: -52.773643
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -5.047
tors. eta vs tors. theta energy: -10.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -129.820455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.820455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.820455 (E_RNA)
where:
Base-Base interactions energy: -73.938
where: short stacking energy: -43.425
Base-Backbone interact. energy: -0.383
local terms energy: -55.498763
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -10.245
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: 8, replica: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -79.570169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.570169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.570169 (E_RNA)
where:
Base-Base interactions energy: -28.706
where: short stacking energy: -28.706
Base-Backbone interact. energy: -0.077
local terms energy: -50.786848
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -5.582
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: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -87.217072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.217072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.217072 (E_RNA)
where:
Base-Base interactions energy: -35.163
where: short stacking energy: -32.593
Base-Backbone interact. energy: -0.612
local terms energy: -51.441320
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: 0.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -92.729837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.729837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.729837 (E_RNA)
where:
Base-Base interactions energy: -40.316
where: short stacking energy: -33.801
Base-Backbone interact. energy: -0.094
local terms energy: -52.319162
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -8.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -158.691992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.691992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.691992 (E_RNA)
where:
Base-Base interactions energy: -88.907
where: short stacking energy: -64.136
Base-Backbone interact. energy: -0.086
local terms energy: -69.699017
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -176.755692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.755692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.755692 (E_RNA)
where:
Base-Base interactions energy: -113.905
where: short stacking energy: -41.612
Base-Backbone interact. energy: -1.345
local terms energy: -61.506059
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -173.730522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.730522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.730522 (E_RNA)
where:
Base-Base interactions energy: -102.169
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.000
local terms energy: -71.561569
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -163.790451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.790451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.790451 (E_RNA)
where:
Base-Base interactions energy: -100.379
where: short stacking energy: -54.975
Base-Backbone interact. energy: 0.201
local terms energy: -63.612857
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -168.503721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.503721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.503721 (E_RNA)
where:
Base-Base interactions energy: -100.191
where: short stacking energy: -46.092
Base-Backbone interact. energy: -0.092
local terms energy: -68.220920
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -99.422070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422070 (E_RNA)
where:
Base-Base interactions energy: -39.629
where: short stacking energy: -39.629
Base-Backbone interact. energy: -0.214
local terms energy: -59.578387
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -6.288
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: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -134.969484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.969484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.969484 (E_RNA)
where:
Base-Base interactions energy: -67.860
where: short stacking energy: -45.147
Base-Backbone interact. energy: 0.476
local terms energy: -67.585279
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -81.730535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.730535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.730535 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.037
local terms energy: -47.119875
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -8.035
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -90.158136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.158136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.158136 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -34.455
Base-Backbone interact. energy: -0.448
local terms energy: -55.254868
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -71.399721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.399721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.399721 (E_RNA)
where:
Base-Base interactions energy: -25.920
where: short stacking energy: -25.920
Base-Backbone interact. energy: -0.670
local terms energy: -44.809844
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -152.520834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.520834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.520834 (E_RNA)
where:
Base-Base interactions energy: -83.221
where: short stacking energy: -45.155
Base-Backbone interact. energy: -0.446
local terms energy: -68.854149
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -183.383109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.383109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.383109 (E_RNA)
where:
Base-Base interactions energy: -108.840
where: short stacking energy: -59.823
Base-Backbone interact. energy: -0.026
local terms energy: -74.517293
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -20.167
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: 11
Temperature: 1.000000
Total energy: -159.846880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.846880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.846880 (E_RNA)
where:
Base-Base interactions energy: -97.502
where: short stacking energy: -45.259
Base-Backbone interact. energy: -0.115
local terms energy: -62.229713
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -193.964096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.964096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.964096 (E_RNA)
where:
Base-Base interactions energy: -119.020
where: short stacking energy: -58.878
Base-Backbone interact. energy: -0.717
local terms energy: -74.227392
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -12.215
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: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -155.372245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.372245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.372245 (E_RNA)
where:
Base-Base interactions energy: -95.449
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.030
local terms energy: -59.893630
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -145.866958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.866958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.866958 (E_RNA)
where:
Base-Base interactions energy: -86.163
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.152
local terms energy: -59.551376
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -101.273584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.273584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.273584 (E_RNA)
where:
Base-Base interactions energy: -46.383
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.576
local terms energy: -54.314293
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -89.014338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.014338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.014338 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -33.548
Base-Backbone interact. energy: 0.450
local terms energy: -49.996623
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -77.884804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.884804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.884804 (E_RNA)
where:
Base-Base interactions energy: -24.591
where: short stacking energy: -18.698
Base-Backbone interact. energy: -0.686
local terms energy: -52.608519
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -74.612368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.612368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.612368 (E_RNA)
where:
Base-Base interactions energy: -22.299
where: short stacking energy: -12.359
Base-Backbone interact. energy: -0.057
local terms energy: -52.256056
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -0.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -181.728264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.728264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.728264 (E_RNA)
where:
Base-Base interactions energy: -112.149
where: short stacking energy: -57.080
Base-Backbone interact. energy: -0.036
local terms energy: -69.543216
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -157.561177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.561177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.561177 (E_RNA)
where:
Base-Base interactions energy: -85.765
where: short stacking energy: -49.732
Base-Backbone interact. energy: -0.756
local terms energy: -71.040133
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -192.320335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.320335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.320335 (E_RNA)
where:
Base-Base interactions energy: -114.286
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.004
local terms energy: -78.030574
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -147.785889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.785889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.785889 (E_RNA)
where:
Base-Base interactions energy: -84.746
where: short stacking energy: -43.672
Base-Backbone interact. energy: -0.403
local terms energy: -62.636660
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -182.298764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.298764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.298764 (E_RNA)
where:
Base-Base interactions energy: -116.544
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.057
local terms energy: -65.698201
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -149.569740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.569740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.569740 (E_RNA)
where:
Base-Base interactions energy: -89.862
where: short stacking energy: -52.511
Base-Backbone interact. energy: 0.395
local terms energy: -60.103355
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -10.406
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -95.404736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.404736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.404736 (E_RNA)
where:
Base-Base interactions energy: -42.054
where: short stacking energy: -30.470
Base-Backbone interact. energy: 0.172
local terms energy: -53.523373
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -88.292890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292890 (E_RNA)
where:
Base-Base interactions energy: -41.454
where: short stacking energy: -41.454
Base-Backbone interact. energy: 2.492
local terms energy: -49.330655
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -3.702
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -100.633991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.633991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.633991 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -35.245
Base-Backbone interact. energy: -1.395
local terms energy: -46.960298
where:
bonds (distance) C4'-P energy: -4.088
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -5.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -84.064011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.064011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.064011 (E_RNA)
where:
Base-Base interactions energy: -35.079
where: short stacking energy: -29.363
Base-Backbone interact. energy: 1.072
local terms energy: -50.056781
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: 0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -186.737088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.737088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.737088 (E_RNA)
where:
Base-Base interactions energy: -115.091
where: short stacking energy: -64.097
Base-Backbone interact. energy: -0.205
local terms energy: -71.441064
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -13.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -214.996727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.996727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.996727 (E_RNA)
where:
Base-Base interactions energy: -145.041
where: short stacking energy: -73.523
Base-Backbone interact. energy: -0.877
local terms energy: -69.078479
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -164.433772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.433772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.433772 (E_RNA)
where:
Base-Base interactions energy: -83.460
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.019
local terms energy: -80.954310
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -178.722678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.722678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.722678 (E_RNA)
where:
Base-Base interactions energy: -104.832
where: short stacking energy: -63.014
Base-Backbone interact. energy: -0.048
local terms energy: -73.842397
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -112.282101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.282101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.282101 (E_RNA)
where:
Base-Base interactions energy: -55.099
where: short stacking energy: -38.767
Base-Backbone interact. energy: 0.783
local terms energy: -57.966143
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -151.053455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.053455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.053455 (E_RNA)
where:
Base-Base interactions energy: -91.200
where: short stacking energy: -48.924
Base-Backbone interact. energy: -0.102
local terms energy: -59.751658
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -10.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -88.024223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024223 (E_RNA)
where:
Base-Base interactions energy: -31.725
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.051
local terms energy: -56.248928
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -94.058720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058720 (E_RNA)
where:
Base-Base interactions energy: -46.434
where: short stacking energy: -37.348
Base-Backbone interact. energy: -0.005
local terms energy: -47.619991
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -6.726
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -6.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -76.875746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.875746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.875746 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -31.798
Base-Backbone interact. energy: -0.189
local terms energy: -43.707460
where:
bonds (distance) C4'-P energy: -5.487
bonds (distance) P-C4' energy: -8.735
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -75.804486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804486 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -29.598
Base-Backbone interact. energy: -0.459
local terms energy: -39.743836
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -0.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -218.138078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.138078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.138078 (E_RNA)
where:
Base-Base interactions energy: -139.493
where: short stacking energy: -75.375
Base-Backbone interact. energy: -0.073
local terms energy: -78.571489
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -185.844341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.844341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.844341 (E_RNA)
where:
Base-Base interactions energy: -120.080
where: short stacking energy: -62.330
Base-Backbone interact. energy: -0.055
local terms energy: -65.708890
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -172.073930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.073930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.073930 (E_RNA)
where:
Base-Base interactions energy: -104.474
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.182
local terms energy: -67.418276
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -149.371306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.371306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.371306 (E_RNA)
where:
Base-Base interactions energy: -85.234
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.095
local terms energy: -64.042015
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -10.030
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -141.111055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.111055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.111055 (E_RNA)
where:
Base-Base interactions energy: -84.856
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.122
local terms energy: -56.133026
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -98.084475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.084475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.084475 (E_RNA)
where:
Base-Base interactions energy: -44.850
where: short stacking energy: -35.654
Base-Backbone interact. energy: 0.145
local terms energy: -53.379522
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.439
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: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -113.733428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.733428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.733428 (E_RNA)
where:
Base-Base interactions energy: -46.661
where: short stacking energy: -39.422
Base-Backbone interact. energy: -0.009
local terms energy: -67.063876
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -87.732893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732893 (E_RNA)
where:
Base-Base interactions energy: -36.192
where: short stacking energy: -35.013
Base-Backbone interact. energy: -0.103
local terms energy: -51.438149
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -4.286
tors. eta vs tors. theta energy: -4.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -86.522340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522340 (E_RNA)
where:
Base-Base interactions energy: -36.026
where: short stacking energy: -13.731
Base-Backbone interact. energy: -1.789
local terms energy: -48.706955
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: 3.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -81.720289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.720289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.720289 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -29.168
Base-Backbone interact. energy: -0.063
local terms energy: -49.643415
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -8.812
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -6.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -222.210491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.210491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210491 (E_RNA)
where:
Base-Base interactions energy: -143.197
where: short stacking energy: -72.191
Base-Backbone interact. energy: 0.184
local terms energy: -79.197891
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -182.688701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.688701 (E_RNA)
where:
Base-Base interactions energy: -106.838
where: short stacking energy: -66.857
Base-Backbone interact. energy: -0.036
local terms energy: -75.814497
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -177.563090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.563090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.563090 (E_RNA)
where:
Base-Base interactions energy: -111.112
where: short stacking energy: -59.836
Base-Backbone interact. energy: 0.020
local terms energy: -66.471923
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -17.019
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: 15
Temperature: 1.050000
Total energy: -144.097506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.097506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.097506 (E_RNA)
where:
Base-Base interactions energy: -87.256
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.108
local terms energy: -56.733430
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -138.152074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.152074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.152074 (E_RNA)
where:
Base-Base interactions energy: -86.357
where: short stacking energy: -36.272
Base-Backbone interact. energy: -0.873
local terms energy: -50.922329
where:
bonds (distance) C4'-P energy: -5.806
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -3.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -119.097211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.097211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.097211 (E_RNA)
where:
Base-Base interactions energy: -64.063
where: short stacking energy: -44.250
Base-Backbone interact. energy: -0.063
local terms energy: -54.971245
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -9.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -82.823820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823820 (E_RNA)
where:
Base-Base interactions energy: -30.895
where: short stacking energy: -30.895
Base-Backbone interact. energy: -0.161
local terms energy: -51.767183
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -0.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -93.563203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.563203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.563203 (E_RNA)
where:
Base-Base interactions energy: -40.972
where: short stacking energy: -25.683
Base-Backbone interact. energy: -0.252
local terms energy: -52.338683
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -74.661994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.661994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.661994 (E_RNA)
where:
Base-Base interactions energy: -23.641
where: short stacking energy: -17.185
Base-Backbone interact. energy: -0.396
local terms energy: -50.624461
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -9.540
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: 0.030
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: 15
Temperature: 1.350000
Total energy: -79.172463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.172463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.172463 (E_RNA)
where:
Base-Base interactions energy: -29.478
where: short stacking energy: -29.478
Base-Backbone interact. energy: -0.116
local terms energy: -49.579104
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -3.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -183.563433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.563433 (E_RNA)
where:
Base-Base interactions energy: -109.020
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.083
local terms energy: -74.460526
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -14.765
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: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -209.714492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.714492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.714492 (E_RNA)
where:
Base-Base interactions energy: -136.518
where: short stacking energy: -62.433
Base-Backbone interact. energy: -0.003
local terms energy: -73.193402
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -17.755
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: 9
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -192.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.126360 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -66.057
Base-Backbone interact. energy: -0.147
local terms energy: -72.284837
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -12.801
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: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -154.230346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.230346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.230346 (E_RNA)
where:
Base-Base interactions energy: -80.562
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.001
local terms energy: -73.666757
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -18.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -118.802209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.802209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.802209 (E_RNA)
where:
Base-Base interactions energy: -60.271
where: short stacking energy: -39.685
Base-Backbone interact. energy: -0.080
local terms energy: -58.450623
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -5.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -142.077495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.077495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.077495 (E_RNA)
where:
Base-Base interactions energy: -83.955
where: short stacking energy: -50.257
Base-Backbone interact. energy: -0.075
local terms energy: -58.047773
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -97.108627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.108627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.108627 (E_RNA)
where:
Base-Base interactions energy: -39.156
where: short stacking energy: -30.656
Base-Backbone interact. energy: -0.057
local terms energy: -57.896367
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -6.869
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -95.228109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.228109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.228109 (E_RNA)
where:
Base-Base interactions energy: -42.041
where: short stacking energy: -28.524
Base-Backbone interact. energy: -0.110
local terms energy: -53.076493
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -82.574545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.574545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.574545 (E_RNA)
where:
Base-Base interactions energy: -27.461
where: short stacking energy: -27.461
Base-Backbone interact. energy: -0.193
local terms energy: -54.920525
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -4.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -76.417888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.417888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.417888 (E_RNA)
where:
Base-Base interactions energy: -23.940
where: short stacking energy: -23.940
Base-Backbone interact. energy: -0.108
local terms energy: -52.369935
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -190.977142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.977142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.977142 (E_RNA)
where:
Base-Base interactions energy: -118.371
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.135
local terms energy: -72.471207
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -216.849004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849004 (E_RNA)
where:
Base-Base interactions energy: -137.134
where: short stacking energy: -68.966
Base-Backbone interact. energy: -0.065
local terms energy: -79.650020
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -22.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -204.473719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.473719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.473719 (E_RNA)
where:
Base-Base interactions energy: -132.880
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.002
local terms energy: -71.592013
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.437
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: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -140.674767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.674767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.674767 (E_RNA)
where:
Base-Base interactions energy: -85.682
where: short stacking energy: -45.057
Base-Backbone interact. energy: -0.095
local terms energy: -54.897073
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -9.303
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -7.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -93.353128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353128 (E_RNA)
where:
Base-Base interactions energy: -30.629
where: short stacking energy: -30.629
Base-Backbone interact. energy: -0.131
local terms energy: -62.592877
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -7.403
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: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -158.755416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.755416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.755416 (E_RNA)
where:
Base-Base interactions energy: -98.746
where: short stacking energy: -62.130
Base-Backbone interact. energy: -0.101
local terms energy: -59.908962
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -82.656993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.656993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.656993 (E_RNA)
where:
Base-Base interactions energy: -29.242
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.970
local terms energy: -52.445378
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -13.164
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -90.267796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.267796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.267796 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -24.021
Base-Backbone interact. energy: -0.020
local terms energy: -55.304035
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -75.012932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.012932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.012932 (E_RNA)
where:
Base-Base interactions energy: -33.406
where: short stacking energy: -17.840
Base-Backbone interact. energy: -0.154
local terms energy: -41.452970
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -4.297
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: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -93.087459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.087459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.087459 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -28.502
Base-Backbone interact. energy: -0.309
local terms energy: -61.345617
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -6.054
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -218.153435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.153435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.153435 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.498
local terms energy: -77.920738
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -186.848249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.848249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.848249 (E_RNA)
where:
Base-Base interactions energy: -115.751
where: short stacking energy: -61.589
Base-Backbone interact. energy: -0.373
local terms energy: -70.724320
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -210.662260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.662260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.662260 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -69.147
Base-Backbone interact. energy: -0.681
local terms energy: -80.711154
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -22.653
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -136.591181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.591181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.591181 (E_RNA)
where:
Base-Base interactions energy: -77.804
where: short stacking energy: -36.734
Base-Backbone interact. energy: -0.086
local terms energy: -58.701514
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -7.233
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: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -162.551442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.551442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.551442 (E_RNA)
where:
Base-Base interactions energy: -102.116
where: short stacking energy: -55.153
Base-Backbone interact. energy: -0.069
local terms energy: -60.366600
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -12.964
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: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -106.344934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.344934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.344934 (E_RNA)
where:
Base-Base interactions energy: -50.642
where: short stacking energy: -37.930
Base-Backbone interact. energy: -0.015
local terms energy: -55.688073
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -77.529299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.529299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.529299 (E_RNA)
where:
Base-Base interactions energy: -21.762
where: short stacking energy: -20.568
Base-Backbone interact. energy: -0.241
local terms energy: -55.525667
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -10.656
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)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -90.689731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689731 (E_RNA)
where:
Base-Base interactions energy: -42.281
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.373
local terms energy: -48.035617
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -8.857
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -3.246
tors. eta vs tors. theta energy: -5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -89.515583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.515583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.515583 (E_RNA)
where:
Base-Base interactions energy: -36.831
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.128
local terms energy: -52.556433
where:
bonds (distance) C4'-P energy: -9.881
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -73.352769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.352769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.352769 (E_RNA)
where:
Base-Base interactions energy: -25.912
where: short stacking energy: -24.783
Base-Backbone interact. energy: -0.523
local terms energy: -46.917102
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -4.480
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: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -222.085015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.085015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.085015 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -69.813
Base-Backbone interact. energy: -0.030
local terms energy: -82.532989
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -216.014080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.014080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.014080 (E_RNA)
where:
Base-Base interactions energy: -141.822
where: short stacking energy: -71.654
Base-Backbone interact. energy: -0.493
local terms energy: -73.698949
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -179.867992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867992 (E_RNA)
where:
Base-Base interactions energy: -105.292
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.100
local terms energy: -74.475659
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -17.595
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: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -164.241440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.241440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.241440 (E_RNA)
where:
Base-Base interactions energy: -90.841
where: short stacking energy: -48.241
Base-Backbone interact. energy: -0.094
local terms energy: -73.306374
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -14.765
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: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -116.588664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.588664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.588664 (E_RNA)
where:
Base-Base interactions energy: -53.952
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.114
local terms energy: -62.521977
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -89.615855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.615855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.615855 (E_RNA)
where:
Base-Base interactions energy: -33.987
where: short stacking energy: -33.987
Base-Backbone interact. energy: -0.087
local terms energy: -55.541677
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -4.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -95.815144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.815144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.815144 (E_RNA)
where:
Base-Base interactions energy: -36.485
where: short stacking energy: -32.249
Base-Backbone interact. energy: -0.138
local terms energy: -59.192307
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -85.741883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.741883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.741883 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -24.285
Base-Backbone interact. energy: -0.241
local terms energy: -58.399772
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -91.490722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.490722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.490722 (E_RNA)
where:
Base-Base interactions energy: -44.658
where: short stacking energy: -43.023
Base-Backbone interact. energy: -0.449
local terms energy: -46.383261
where:
bonds (distance) C4'-P energy: -7.594
bonds (distance) P-C4' energy: -6.851
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -73.721668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.721668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.721668 (E_RNA)
where:
Base-Base interactions energy: -20.077
where: short stacking energy: -19.392
Base-Backbone interact. energy: 0.138
local terms energy: -53.782053
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -2.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -223.802691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.802691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.802691 (E_RNA)
where:
Base-Base interactions energy: -145.806
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.014
local terms energy: -77.983015
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -22.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -211.823378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.823378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.823378 (E_RNA)
where:
Base-Base interactions energy: -137.732
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.009
local terms energy: -74.082180
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -173.842754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.842754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.842754 (E_RNA)
where:
Base-Base interactions energy: -101.348
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.085
local terms energy: -72.410137
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -169.572843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.572843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.572843 (E_RNA)
where:
Base-Base interactions energy: -98.296
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.001
local terms energy: -71.275185
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -99.661573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.661573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.661573 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -36.701
Base-Backbone interact. energy: -0.241
local terms energy: -62.719205
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -8.594
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -97.328234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.328234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.328234 (E_RNA)
where:
Base-Base interactions energy: -39.252
where: short stacking energy: -30.829
Base-Backbone interact. energy: -0.147
local terms energy: -57.929343
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -3.706
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: 3
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -90.051066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.051066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.051066 (E_RNA)
where:
Base-Base interactions energy: -36.489
where: short stacking energy: -32.482
Base-Backbone interact. energy: -1.832
local terms energy: -51.729689
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.291
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -85.054871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.054871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.054871 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -24.197
Base-Backbone interact. energy: 1.955
local terms energy: -48.950998
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -8.846
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: 3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.178697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.178697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.178697 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.275
local terms energy: -44.987071
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -6.603
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -82.051771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.051771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.051771 (E_RNA)
where:
Base-Base interactions energy: -48.688
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.224
local terms energy: -33.139676
where:
bonds (distance) C4'-P energy: -5.756
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -8.390
flat angles P-C4'-P energy: -3.441
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -213.771173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.771173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.771173 (E_RNA)
where:
Base-Base interactions energy: -137.420
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.002
local terms energy: -76.349473
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -19.738
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: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -187.401027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.401027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.401027 (E_RNA)
where:
Base-Base interactions energy: -111.226
where: short stacking energy: -62.527
Base-Backbone interact. energy: -0.041
local terms energy: -76.134073
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -207.095429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095429 (E_RNA)
where:
Base-Base interactions energy: -136.231
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.321
local terms energy: -70.543673
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -171.242313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.242313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.242313 (E_RNA)
where:
Base-Base interactions energy: -103.343
where: short stacking energy: -40.989
Base-Backbone interact. energy: -0.131
local terms energy: -67.767745
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -10.305
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: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -101.278836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.278836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.278836 (E_RNA)
where:
Base-Base interactions energy: -48.901
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.117
local terms energy: -52.260260
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.198
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: 6, replica: 3
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -109.702581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.702581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.702581 (E_RNA)
where:
Base-Base interactions energy: -54.869
where: short stacking energy: -35.342
Base-Backbone interact. energy: -0.129
local terms energy: -54.704966
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -4.075
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: 2
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -90.566218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.566218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.566218 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -30.451
Base-Backbone interact. energy: -0.104
local terms energy: -60.010463
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -84.028215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.028215 (E_RNA)
where:
Base-Base interactions energy: -32.275
where: short stacking energy: -26.493
Base-Backbone interact. energy: -0.534
local terms energy: -51.219259
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -11.443
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: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -84.813879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.813879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.813879 (E_RNA)
where:
Base-Base interactions energy: -29.175
where: short stacking energy: -28.949
Base-Backbone interact. energy: -0.142
local terms energy: -55.496393
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -75.769937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.769937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.769937 (E_RNA)
where:
Base-Base interactions energy: -28.468
where: short stacking energy: -21.891
Base-Backbone interact. energy: 0.293
local terms energy: -47.594424
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -9.130
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -224.195261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.195261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.195261 (E_RNA)
where:
Base-Base interactions energy: -141.554
where: short stacking energy: -72.880
Base-Backbone interact. energy: -0.022
local terms energy: -82.619809
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -171.150045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.150045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.150045 (E_RNA)
where:
Base-Base interactions energy: -97.934
where: short stacking energy: -54.657
Base-Backbone interact. energy: -0.088
local terms energy: -73.127381
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -199.005611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.005611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.005611 (E_RNA)
where:
Base-Base interactions energy: -133.632
where: short stacking energy: -52.826
Base-Backbone interact. energy: -0.217
local terms energy: -65.156217
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -173.155058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155058 (E_RNA)
where:
Base-Base interactions energy: -110.532
where: short stacking energy: -51.567
Base-Backbone interact. energy: -0.145
local terms energy: -62.477970
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -97.118392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.118392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.118392 (E_RNA)
where:
Base-Base interactions energy: -42.208
where: short stacking energy: -32.777
Base-Backbone interact. energy: -0.145
local terms energy: -54.765790
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -96.464506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.464506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.464506 (E_RNA)
where:
Base-Base interactions energy: -48.470
where: short stacking energy: -34.362
Base-Backbone interact. energy: -0.086
local terms energy: -47.909188
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: -6.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -101.679912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.679912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.679912 (E_RNA)
where:
Base-Base interactions energy: -38.853
where: short stacking energy: -34.787
Base-Backbone interact. energy: -0.191
local terms energy: -62.635440
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -5.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -89.899021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.899021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.899021 (E_RNA)
where:
Base-Base interactions energy: -43.856
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.126
local terms energy: -45.917332
where:
bonds (distance) C4'-P energy: -5.082
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -6.551
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: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -80.927971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.927971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.927971 (E_RNA)
where:
Base-Base interactions energy: -32.678
where: short stacking energy: -27.874
Base-Backbone interact. energy: -0.584
local terms energy: -47.666661
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -7.852
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -91.999528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.999528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.999528 (E_RNA)
where:
Base-Base interactions energy: -41.861
where: short stacking energy: -42.192
Base-Backbone interact. energy: -0.016
local terms energy: -50.122068
where:
bonds (distance) C4'-P energy: -8.758
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -209.814203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.814203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.814203 (E_RNA)
where:
Base-Base interactions energy: -133.672
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.587
local terms energy: -75.555562
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.786
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: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -202.415844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.415844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.415844 (E_RNA)
where:
Base-Base interactions energy: -125.241
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.002
local terms energy: -77.173249
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -165.298477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.298477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.298477 (E_RNA)
where:
Base-Base interactions energy: -99.511
where: short stacking energy: -48.455
Base-Backbone interact. energy: -0.026
local terms energy: -65.761012
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -162.720660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.720660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.720660 (E_RNA)
where:
Base-Base interactions energy: -97.867
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.003
local terms energy: -64.849895
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -4.567
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -92.889566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889566 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -33.936
Base-Backbone interact. energy: 0.222
local terms energy: -49.142430
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -98.824225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.824225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.824225 (E_RNA)
where:
Base-Base interactions energy: -40.162
where: short stacking energy: -38.626
Base-Backbone interact. energy: -0.010
local terms energy: -58.651993
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -110.391208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.391208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.391208 (E_RNA)
where:
Base-Base interactions energy: -66.008
where: short stacking energy: -28.260
Base-Backbone interact. energy: -1.782
local terms energy: -42.600890
where:
bonds (distance) C4'-P energy: -6.050
bonds (distance) P-C4' energy: -9.107
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -89.462567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462567 (E_RNA)
where:
Base-Base interactions energy: -42.672
where: short stacking energy: -29.832
Base-Backbone interact. energy: -0.158
local terms energy: -46.632745
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -6.181
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -81.334730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.334730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.334730 (E_RNA)
where:
Base-Base interactions energy: -28.531
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.040
local terms energy: -52.763861
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -6.716
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: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -79.829427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.829427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.829427 (E_RNA)
where:
Base-Base interactions energy: -29.101
where: short stacking energy: -27.521
Base-Backbone interact. energy: -0.125
local terms energy: -50.603444
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -211.096500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.096500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.096500 (E_RNA)
where:
Base-Base interactions energy: -135.281
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.946
local terms energy: -74.870012
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.865
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -198.794948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.794948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.794948 (E_RNA)
where:
Base-Base interactions energy: -125.250
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.349
local terms energy: -73.195317
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -183.905245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.905245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.905245 (E_RNA)
where:
Base-Base interactions energy: -110.878
where: short stacking energy: -62.865
Base-Backbone interact. energy: -0.048
local terms energy: -72.978730
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -173.364434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.364434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.364434 (E_RNA)
where:
Base-Base interactions energy: -107.754
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.745
local terms energy: -64.865515
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -96.699302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.699302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.699302 (E_RNA)
where:
Base-Base interactions energy: -42.892
where: short stacking energy: -22.189
Base-Backbone interact. energy: 0.354
local terms energy: -54.161826
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -2.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -98.405096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.405096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.405096 (E_RNA)
where:
Base-Base interactions energy: -45.908
where: short stacking energy: -41.586
Base-Backbone interact. energy: 2.217
local terms energy: -54.714405
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.972
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -91.725731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.725731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.725731 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.374
local terms energy: -47.381371
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -9.648
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -97.749254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.749254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.749254 (E_RNA)
where:
Base-Base interactions energy: -48.355
where: short stacking energy: -26.274
Base-Backbone interact. energy: -0.105
local terms energy: -49.289263
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -3.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -79.398189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.398189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.398189 (E_RNA)
where:
Base-Base interactions energy: -37.667
where: short stacking energy: -37.667
Base-Backbone interact. energy: -0.201
local terms energy: -41.529704
where:
bonds (distance) C4'-P energy: -7.335
bonds (distance) P-C4' energy: -9.388
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -72.524729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.524729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.524729 (E_RNA)
where:
Base-Base interactions energy: -28.081
where: short stacking energy: -19.775
Base-Backbone interact. energy: 2.485
local terms energy: -46.928484
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -8.361
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: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -213.977697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.977697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.977697 (E_RNA)
where:
Base-Base interactions energy: -142.098
where: short stacking energy: -66.176
Base-Backbone interact. energy: -1.462
local terms energy: -70.418075
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -216.053430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.053430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.053430 (E_RNA)
where:
Base-Base interactions energy: -138.309
where: short stacking energy: -70.095
Base-Backbone interact. energy: -0.004
local terms energy: -77.740469
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -12.129
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: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -169.457050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.457050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.457050 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.037
local terms energy: -72.329492
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -14.273
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: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -163.916739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.916739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.916739 (E_RNA)
where:
Base-Base interactions energy: -93.889
where: short stacking energy: -54.200
Base-Backbone interact. energy: -0.001
local terms energy: -70.027389
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -111.947818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.947818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.947818 (E_RNA)
where:
Base-Base interactions energy: -60.992
where: short stacking energy: -33.092
Base-Backbone interact. energy: -0.154
local terms energy: -50.802115
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -6.488
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: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -91.065026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.065026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.065026 (E_RNA)
where:
Base-Base interactions energy: -38.667
where: short stacking energy: -34.762
Base-Backbone interact. energy: -0.257
local terms energy: -52.141678
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: 1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -88.201928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201928 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -35.416
Base-Backbone interact. energy: -0.200
local terms energy: -51.799628
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -80.686157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.686157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.686157 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -32.762
Base-Backbone interact. energy: 1.381
local terms energy: -48.615505
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -77.435628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.435628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.435628 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -27.529
Base-Backbone interact. energy: 1.201
local terms energy: -39.141180
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -79.646253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.646253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.646253 (E_RNA)
where:
Base-Base interactions energy: -35.019
where: short stacking energy: -30.680
Base-Backbone interact. energy: 1.713
local terms energy: -46.340195
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -3.551
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: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -217.598933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.598933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.598933 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -70.191
Base-Backbone interact. energy: -0.001
local terms energy: -79.824626
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -204.328255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.328255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.328255 (E_RNA)
where:
Base-Base interactions energy: -127.250
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.019
local terms energy: -77.059080
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -172.733388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.733388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.733388 (E_RNA)
where:
Base-Base interactions energy: -101.858
where: short stacking energy: -54.116
Base-Backbone interact. energy: -0.085
local terms energy: -70.790305
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -169.493359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.493359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.493359 (E_RNA)
where:
Base-Base interactions energy: -100.261
where: short stacking energy: -56.814
Base-Backbone interact. energy: -0.093
local terms energy: -69.139473
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -102.216480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.216480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.216480 (E_RNA)
where:
Base-Base interactions energy: -49.600
where: short stacking energy: -17.979
Base-Backbone interact. energy: -0.507
local terms energy: -52.109327
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: 2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -104.119766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.119766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.119766 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.014
local terms energy: -57.166254
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -6.556
tors. eta vs tors. theta energy: -8.228
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: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -84.766844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.766844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.766844 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -23.755
Base-Backbone interact. energy: -0.195
local terms energy: -51.959449
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -79.280620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.280620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.280620 (E_RNA)
where:
Base-Base interactions energy: -27.151
where: short stacking energy: -26.704
Base-Backbone interact. energy: -0.226
local terms energy: -51.903472
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -9.511
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -75.448721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.448721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.448721 (E_RNA)
where:
Base-Base interactions energy: -25.355
where: short stacking energy: -19.533
Base-Backbone interact. energy: 0.035
local terms energy: -50.128974
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: 0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -76.479790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.479790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.479790 (E_RNA)
where:
Base-Base interactions energy: -33.400
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.304
local terms energy: -42.776317
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -5.791
tors. eta vs tors. theta energy: 0.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -219.762907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.762907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.762907 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.113
local terms energy: -77.693114
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -17.360
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: 9
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -211.209696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.209696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.209696 (E_RNA)
where:
Base-Base interactions energy: -138.362
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.604
local terms energy: -72.243709
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -174.212748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.212748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.212748 (E_RNA)
where:
Base-Base interactions energy: -112.389
where: short stacking energy: -49.346
Base-Backbone interact. energy: -0.199
local terms energy: -61.624510
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -167.162050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.162050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.162050 (E_RNA)
where:
Base-Base interactions energy: -95.008
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.014
local terms energy: -72.139565
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -15.004
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: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -143.451095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.451095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.451095 (E_RNA)
where:
Base-Base interactions energy: -91.435
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.107
local terms energy: -51.909415
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -3.369
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -104.251109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.251109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.251109 (E_RNA)
where:
Base-Base interactions energy: -49.205
where: short stacking energy: -44.618
Base-Backbone interact. energy: -0.188
local terms energy: -54.858828
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: -10.706
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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -99.089347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.089347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.089347 (E_RNA)
where:
Base-Base interactions energy: -50.387
where: short stacking energy: -48.254
Base-Backbone interact. energy: -0.127
local terms energy: -48.574883
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -4.601
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -80.173438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.173438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.173438 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -30.050
Base-Backbone interact. energy: -0.126
local terms energy: -47.581448
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -12.712
tors. eta vs tors. theta energy: -0.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -88.541161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541161 (E_RNA)
where:
Base-Base interactions energy: -36.432
where: short stacking energy: -36.392
Base-Backbone interact. energy: 1.477
local terms energy: -53.585887
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -4.351
tors. eta vs tors. theta energy: -8.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -90.267498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.267498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.267498 (E_RNA)
where:
Base-Base interactions energy: -36.393
where: short stacking energy: -34.322
Base-Backbone interact. energy: -0.063
local terms energy: -53.810628
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -2.275
tors. eta vs tors. theta energy: -6.144
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: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -217.427729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.427729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.427729 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -69.312
Base-Backbone interact. energy: -0.072
local terms energy: -72.204182
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -18.723
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: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -206.079409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.079409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.079409 (E_RNA)
where:
Base-Base interactions energy: -136.959
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.151
local terms energy: -68.969315
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -12.062
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: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -180.091136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.091136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.091136 (E_RNA)
where:
Base-Base interactions energy: -108.501
where: short stacking energy: -61.457
Base-Backbone interact. energy: -0.008
local terms energy: -71.582344
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -163.083930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.083930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.083930 (E_RNA)
where:
Base-Base interactions energy: -106.350
where: short stacking energy: -46.474
Base-Backbone interact. energy: -0.053
local terms energy: -56.680493
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -169.054158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.054158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.054158 (E_RNA)
where:
Base-Base interactions energy: -103.302
where: short stacking energy: -46.374
Base-Backbone interact. energy: -0.106
local terms energy: -65.646329
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -103.022516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.022516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.022516 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -44.110
Base-Backbone interact. energy: -0.154
local terms energy: -58.468242
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -9.188
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: -9.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -98.657050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.657050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.657050 (E_RNA)
where:
Base-Base interactions energy: -41.344
where: short stacking energy: -31.091
Base-Backbone interact. energy: -0.099
local terms energy: -57.213972
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -6.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -81.766966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.766966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.766966 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -21.097
Base-Backbone interact. energy: 0.017
local terms energy: -45.797410
where:
bonds (distance) C4'-P energy: -16.573
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: 4.140
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: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -82.993419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.993419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.993419 (E_RNA)
where:
Base-Base interactions energy: -29.878
where: short stacking energy: -29.284
Base-Backbone interact. energy: 0.487
local terms energy: -53.602250
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: 1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -80.795397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.795397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.795397 (E_RNA)
where:
Base-Base interactions energy: -31.574
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.096
local terms energy: -49.125781
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -5.481
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: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -222.879298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.879298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.879298 (E_RNA)
where:
Base-Base interactions energy: -144.907
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.022
local terms energy: -77.950812
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -174.581242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.581242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.581242 (E_RNA)
where:
Base-Base interactions energy: -102.539
where: short stacking energy: -52.986
Base-Backbone interact. energy: -0.297
local terms energy: -71.745435
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -202.606200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.606200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.606200 (E_RNA)
where:
Base-Base interactions energy: -133.067
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.004
local terms energy: -69.534410
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -163.872447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.872447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.872447 (E_RNA)
where:
Base-Base interactions energy: -105.361
where: short stacking energy: -49.849
Base-Backbone interact. energy: -0.014
local terms energy: -58.497777
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -11.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -149.974865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.974865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.974865 (E_RNA)
where:
Base-Base interactions energy: -84.774
where: short stacking energy: -40.053
Base-Backbone interact. energy: -0.098
local terms energy: -65.102935
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -101.446373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.446373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.446373 (E_RNA)
where:
Base-Base interactions energy: -37.787
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.105
local terms energy: -63.554411
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -94.141690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141690 (E_RNA)
where:
Base-Base interactions energy: -58.058
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.212
local terms energy: -35.871733
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -6.038
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: 1.479
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: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -82.686270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.686270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.686270 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -25.596
Base-Backbone interact. energy: -0.615
local terms energy: -52.158844
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -119.186260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.186260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.186260 (E_RNA)
where:
Base-Base interactions energy: -72.518
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.883
local terms energy: -45.785981
where:
bonds (distance) C4'-P energy: -8.746
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.342502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.342502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.342502 (E_RNA)
where:
Base-Base interactions energy: -25.688
where: short stacking energy: -25.688
Base-Backbone interact. energy: -0.146
local terms energy: -56.508250
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -8.065
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -220.102620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.102620 (E_RNA)
where:
Base-Base interactions energy: -144.464
where: short stacking energy: -77.080
Base-Backbone interact. energy: -0.002
local terms energy: -75.636895
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -23.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -190.929568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.929568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.929568 (E_RNA)
where:
Base-Base interactions energy: -118.493
where: short stacking energy: -65.542
Base-Backbone interact. energy: -0.082
local terms energy: -72.354810
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.748
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: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -174.303736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.303736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.303736 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.051
local terms energy: -67.564176
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -187.951813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.951813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.951813 (E_RNA)
where:
Base-Base interactions energy: -116.703
where: short stacking energy: -63.736
Base-Backbone interact. energy: 0.412
local terms energy: -71.661188
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -152.479605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.479605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.479605 (E_RNA)
where:
Base-Base interactions energy: -88.778
where: short stacking energy: -45.728
Base-Backbone interact. energy: -1.439
local terms energy: -62.262744
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -97.987211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.987211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.987211 (E_RNA)
where:
Base-Base interactions energy: -50.259
where: short stacking energy: -34.923
Base-Backbone interact. energy: -0.158
local terms energy: -47.569726
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -3.890
tors. eta vs tors. theta energy: -5.756
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: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -105.446421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.446421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.446421 (E_RNA)
where:
Base-Base interactions energy: -51.372
where: short stacking energy: -19.098
Base-Backbone interact. energy: -0.120
local terms energy: -53.954257
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -81.544186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544186 (E_RNA)
where:
Base-Base interactions energy: -29.905
where: short stacking energy: -29.602
Base-Backbone interact. energy: -0.043
local terms energy: -51.596545
where:
bonds (distance) C4'-P energy: -15.937
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.858
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: 9, replica: 3
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -88.741150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.741150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.741150 (E_RNA)
where:
Base-Base interactions energy: -25.476
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.169
local terms energy: -63.095962
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -13.813
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -112.932033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.932033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.932033 (E_RNA)
where:
Base-Base interactions energy: -63.332
where: short stacking energy: -30.118
Base-Backbone interact. energy: -0.476
local terms energy: -49.123320
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -1.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -223.116485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.116485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.116485 (E_RNA)
where:
Base-Base interactions energy: -144.183
where: short stacking energy: -70.440
Base-Backbone interact. energy: -0.294
local terms energy: -78.639475
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -178.514003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.514003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.514003 (E_RNA)
where:
Base-Base interactions energy: -110.997
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.052
local terms energy: -67.465391
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -172.712524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.712524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.712524 (E_RNA)
where:
Base-Base interactions energy: -105.522
where: short stacking energy: -62.120
Base-Backbone interact. energy: -0.001
local terms energy: -67.189944
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -14.552
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: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -198.430023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.430023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.430023 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.424
local terms energy: -69.622118
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -15.365
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -160.151453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.151453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.151453 (E_RNA)
where:
Base-Base interactions energy: -99.386
where: short stacking energy: -49.823
Base-Backbone interact. energy: -0.068
local terms energy: -60.697875
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -100.564701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.564701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.564701 (E_RNA)
where:
Base-Base interactions energy: -38.707
where: short stacking energy: -38.707
Base-Backbone interact. energy: -0.099
local terms energy: -61.759026
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -93.214807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.214807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.214807 (E_RNA)
where:
Base-Base interactions energy: -41.016
where: short stacking energy: -41.016
Base-Backbone interact. energy: 0.169
local terms energy: -52.368150
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -82.786001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.786001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.786001 (E_RNA)
where:
Base-Base interactions energy: -29.347
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.304
local terms energy: -53.134619
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -5.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -89.639321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.639321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.639321 (E_RNA)
where:
Base-Base interactions energy: -25.466
where: short stacking energy: -25.459
Base-Backbone interact. energy: -0.020
local terms energy: -64.153682
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -86.787461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787461 (E_RNA)
where:
Base-Base interactions energy: -36.405
where: short stacking energy: -30.950
Base-Backbone interact. energy: -0.334
local terms energy: -50.048726
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -8.146
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: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -223.300482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.300482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.300482 (E_RNA)
where:
Base-Base interactions energy: -144.291
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.175
local terms energy: -78.833808
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -170.375023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.375023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.375023 (E_RNA)
where:
Base-Base interactions energy: -97.788
where: short stacking energy: -55.622
Base-Backbone interact. energy: -0.002
local terms energy: -72.584249
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -210.291027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.291027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.291027 (E_RNA)
where:
Base-Base interactions energy: -138.815
where: short stacking energy: -71.911
Base-Backbone interact. energy: 0.326
local terms energy: -71.801853
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -172.613625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.613625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.613625 (E_RNA)
where:
Base-Base interactions energy: -106.090
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.054
local terms energy: -66.469056
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -152.589841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.589841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.589841 (E_RNA)
where:
Base-Base interactions energy: -92.519
where: short stacking energy: -55.412
Base-Backbone interact. energy: -0.053
local terms energy: -60.017907
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -4.634
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: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -104.354450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.354450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.354450 (E_RNA)
where:
Base-Base interactions energy: -38.890
where: short stacking energy: -38.890
Base-Backbone interact. energy: 0.041
local terms energy: -65.504986
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -95.522026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.522026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.522026 (E_RNA)
where:
Base-Base interactions energy: -41.297
where: short stacking energy: -35.937
Base-Backbone interact. energy: -0.733
local terms energy: -53.491824
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -78.884879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.884879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.884879 (E_RNA)
where:
Base-Base interactions energy: -30.868
where: short stacking energy: -28.318
Base-Backbone interact. energy: -0.095
local terms energy: -47.921886
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -8.786
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -76.213833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.213833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.213833 (E_RNA)
where:
Base-Base interactions energy: -24.574
where: short stacking energy: -24.574
Base-Backbone interact. energy: -0.098
local terms energy: -51.541048
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -1.587
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -80.151917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.151917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.151917 (E_RNA)
where:
Base-Base interactions energy: -21.849
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.232
local terms energy: -58.071418
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -219.566534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.566534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.566534 (E_RNA)
where:
Base-Base interactions energy: -136.331
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.009
local terms energy: -83.226961
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -22.312
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: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -214.173685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.173685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.173685 (E_RNA)
where:
Base-Base interactions energy: -135.936
where: short stacking energy: -65.596
Base-Backbone interact. energy: 0.175
local terms energy: -78.412868
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -18.814
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: 1
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -178.282263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.282263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.282263 (E_RNA)
where:
Base-Base interactions energy: -102.450
where: short stacking energy: -52.517
Base-Backbone interact. energy: 1.643
local terms energy: -77.476128
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -19.632
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: 4, replica: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -166.986633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.986633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.986633 (E_RNA)
where:
Base-Base interactions energy: -92.009
where: short stacking energy: -58.060
Base-Backbone interact. energy: 0.054
local terms energy: -75.031476
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -163.533590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.533590 (E_RNA)
where:
Base-Base interactions energy: -93.880
where: short stacking energy: -44.255
Base-Backbone interact. energy: -1.148
local terms energy: -68.506192
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -8.171
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: 33
Temperature: 1.150000
Total energy: -102.885233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.885233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.885233 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -37.020
Base-Backbone interact. energy: -0.166
local terms energy: -65.699068
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -11.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -92.042191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.042191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.042191 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -38.282
Base-Backbone interact. energy: -0.126
local terms energy: -53.500343
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -9.561
flat angles P-C4'-P energy: -5.585
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: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -82.067478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067478 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -28.391
Base-Backbone interact. energy: -0.428
local terms energy: -51.779181
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -8.697
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -1.179
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: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -94.285679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.285679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.285679 (E_RNA)
where:
Base-Base interactions energy: -45.450
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.235
local terms energy: -48.600281
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -79.245147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.245147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.245147 (E_RNA)
where:
Base-Base interactions energy: -29.482
where: short stacking energy: -28.469
Base-Backbone interact. energy: -0.165
local terms energy: -49.597876
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -8.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -215.946804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.946804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.946804 (E_RNA)
where:
Base-Base interactions energy: -136.915
where: short stacking energy: -73.634
Base-Backbone interact. energy: 0.325
local terms energy: -79.357160
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -222.908929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.908929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.908929 (E_RNA)
where:
Base-Base interactions energy: -146.637
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.625
local terms energy: -75.647229
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -19.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -172.642770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.642770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.642770 (E_RNA)
where:
Base-Base interactions energy: -105.244
where: short stacking energy: -60.874
Base-Backbone interact. energy: -0.268
local terms energy: -67.130551
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -162.316293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.316293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.316293 (E_RNA)
where:
Base-Base interactions energy: -96.821
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.372
local terms energy: -65.122617
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -13.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -164.101496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.101496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.101496 (E_RNA)
where:
Base-Base interactions energy: -100.548
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.097
local terms energy: -63.455887
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -12.474
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: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -105.144180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.144180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.144180 (E_RNA)
where:
Base-Base interactions energy: -49.592
where: short stacking energy: -33.750
Base-Backbone interact. energy: -0.083
local terms energy: -55.468907
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -92.469730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469730 (E_RNA)
where:
Base-Base interactions energy: -30.779
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.088
local terms energy: -61.778684
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -5.569
tors. eta vs tors. theta energy: -9.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -95.146145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146145 (E_RNA)
where:
Base-Base interactions energy: -43.699
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.407
local terms energy: -51.040453
where:
bonds (distance) C4'-P energy: -8.259
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -9.827
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -89.250146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.250146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.250146 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -29.919
Base-Backbone interact. energy: -0.289
local terms energy: -49.726754
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.464
flat angles P-C4'-P energy: -4.514
tors. eta vs tors. theta energy: -0.817
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: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -79.152112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.152112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.152112 (E_RNA)
where:
Base-Base interactions energy: -24.797
where: short stacking energy: -22.033
Base-Backbone interact. energy: -1.598
local terms energy: -52.757637
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -8.665
flat angles P-C4'-P energy: -10.712
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: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -227.760495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.760495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.760495 (E_RNA)
where:
Base-Base interactions energy: -141.459
where: short stacking energy: -75.625
Base-Backbone interact. energy: -0.477
local terms energy: -85.824531
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -23.573
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: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -217.080063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080063 (E_RNA)
where:
Base-Base interactions energy: -139.899
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.963
local terms energy: -76.218229
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -159.194997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.194997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.194997 (E_RNA)
where:
Base-Base interactions energy: -93.565
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.068
local terms energy: -65.562180
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -8.330
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: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -156.944224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.944224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.944224 (E_RNA)
where:
Base-Base interactions energy: -87.753
where: short stacking energy: -61.422
Base-Backbone interact. energy: 0.344
local terms energy: -69.535431
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -141.775758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.775758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.775758 (E_RNA)
where:
Base-Base interactions energy: -82.417
where: short stacking energy: -33.411
Base-Backbone interact. energy: -0.931
local terms energy: -58.427645
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -115.684951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.684951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.684951 (E_RNA)
where:
Base-Base interactions energy: -49.094
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.202
local terms energy: -66.388780
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -96.191551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191551 (E_RNA)
where:
Base-Base interactions energy: -39.827
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.432
local terms energy: -55.932412
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -82.035686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035686 (E_RNA)
where:
Base-Base interactions energy: -32.791
where: short stacking energy: -21.434
Base-Backbone interact. energy: -0.345
local terms energy: -48.899954
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: 1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -78.315177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.315177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.315177 (E_RNA)
where:
Base-Base interactions energy: -26.167
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.193
local terms energy: -51.954792
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -10.616
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -76.854457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.854457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.854457 (E_RNA)
where:
Base-Base interactions energy: -27.047
where: short stacking energy: -26.843
Base-Backbone interact. energy: -0.030
local terms energy: -49.777790
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -226.645327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.645327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.645327 (E_RNA)
where:
Base-Base interactions energy: -145.418
where: short stacking energy: -75.749
Base-Backbone interact. energy: -0.596
local terms energy: -80.631880
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -224.777882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.777882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.777882 (E_RNA)
where:
Base-Base interactions energy: -139.951
where: short stacking energy: -72.087
Base-Backbone interact. energy: -0.607
local terms energy: -84.219888
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -159.406268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.406268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.406268 (E_RNA)
where:
Base-Base interactions energy: -90.604
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.102
local terms energy: -68.699820
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -17.551
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: 4, replica: 5
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -149.499394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.499394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.499394 (E_RNA)
where:
Base-Base interactions energy: -78.867
where: short stacking energy: -49.519
Base-Backbone interact. energy: 1.282
local terms energy: -71.914092
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -109.736708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.736708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.736708 (E_RNA)
where:
Base-Base interactions energy: -56.895
where: short stacking energy: -27.746
Base-Backbone interact. energy: 0.337
local terms energy: -53.179167
where:
bonds (distance) C4'-P energy: -8.713
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -11.425
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: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -130.795992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.795992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.795992 (E_RNA)
where:
Base-Base interactions energy: -67.881
where: short stacking energy: -41.089
Base-Backbone interact. energy: 0.037
local terms energy: -62.951955
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -89.780343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.780343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.780343 (E_RNA)
where:
Base-Base interactions energy: -42.638
where: short stacking energy: -28.991
Base-Backbone interact. energy: -0.117
local terms energy: -47.026086
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -1.932
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: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -88.498199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.498199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.498199 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -40.383
Base-Backbone interact. energy: 0.082
local terms energy: -46.460675
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -7.800
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -74.211354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.211354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.211354 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -15.374
Base-Backbone interact. energy: -1.170
local terms energy: -40.365935
where:
bonds (distance) C4'-P energy: -8.521
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -7.238
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: 0.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -79.417799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417799 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -24.997
Base-Backbone interact. energy: -0.170
local terms energy: -43.015659
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: 1.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -222.622079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.622079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.622079 (E_RNA)
where:
Base-Base interactions energy: -140.598
where: short stacking energy: -69.506
Base-Backbone interact. energy: -0.027
local terms energy: -81.997024
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -20.171
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: 1
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -175.541089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.541089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.541089 (E_RNA)
where:
Base-Base interactions energy: -107.520
where: short stacking energy: -64.704
Base-Backbone interact. energy: -0.251
local terms energy: -67.770881
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -214.473331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.473331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.473331 (E_RNA)
where:
Base-Base interactions energy: -129.629
where: short stacking energy: -72.460
Base-Backbone interact. energy: -0.023
local terms energy: -84.821574
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -170.277989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.277989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.277989 (E_RNA)
where:
Base-Base interactions energy: -93.387
where: short stacking energy: -48.978
Base-Backbone interact. energy: -0.005
local terms energy: -76.885871
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.864
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -111.721467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.721467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.721467 (E_RNA)
where:
Base-Base interactions energy: -62.282
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.122
local terms energy: -49.317480
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -12.132
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -134.239101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.239101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.239101 (E_RNA)
where:
Base-Base interactions energy: -77.872
where: short stacking energy: -36.126
Base-Backbone interact. energy: -0.106
local terms energy: -56.261106
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -81.502236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.502236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.502236 (E_RNA)
where:
Base-Base interactions energy: -31.882
where: short stacking energy: -27.901
Base-Backbone interact. energy: 0.018
local terms energy: -49.638509
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -81.750029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750029 (E_RNA)
where:
Base-Base interactions energy: -28.925
where: short stacking energy: -27.919
Base-Backbone interact. energy: -0.071
local terms energy: -52.754614
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -4.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -81.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.477198 (E_RNA)
where:
Base-Base interactions energy: -39.636
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.910
local terms energy: -40.931080
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -9.315
flat angles C4'-P-C4' energy: -5.868
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -87.333805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.333805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.333805 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.103
local terms energy: -49.730723
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -219.613713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613713 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.075
local terms energy: -80.453125
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -12.874
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: 2, replica: 1
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -175.636811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.636811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.636811 (E_RNA)
where:
Base-Base interactions energy: -106.504
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.043
local terms energy: -69.089492
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -195.040978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.040978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.040978 (E_RNA)
where:
Base-Base interactions energy: -124.195
where: short stacking energy: -53.532
Base-Backbone interact. energy: -0.137
local terms energy: -70.709405
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.884
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: 4, replica: 5
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -170.744047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.744047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.744047 (E_RNA)
where:
Base-Base interactions energy: -103.339
where: short stacking energy: -56.842
Base-Backbone interact. energy: -0.118
local terms energy: -67.287599
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -154.421589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.421589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.421589 (E_RNA)
where:
Base-Base interactions energy: -93.814
where: short stacking energy: -54.176
Base-Backbone interact. energy: -0.003
local terms energy: -60.604929
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -0.957
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -97.552672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.552672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.552672 (E_RNA)
where:
Base-Base interactions energy: -47.107
where: short stacking energy: -23.147
Base-Backbone interact. energy: -0.497
local terms energy: -49.948069
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -2.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -84.642905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642905 (E_RNA)
where:
Base-Base interactions energy: -33.757
where: short stacking energy: -17.962
Base-Backbone interact. energy: -0.091
local terms energy: -50.795004
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -82.632893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632893 (E_RNA)
where:
Base-Base interactions energy: -24.058
where: short stacking energy: -19.304
Base-Backbone interact. energy: -0.532
local terms energy: -58.043562
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -89.603287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.603287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.603287 (E_RNA)
where:
Base-Base interactions energy: -37.338
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.011
local terms energy: -52.254693
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -83.607847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.607847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.607847 (E_RNA)
where:
Base-Base interactions energy: -34.993
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.432
local terms energy: -48.182623
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -2.764
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -217.845233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.845233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.845233 (E_RNA)
where:
Base-Base interactions energy: -151.892
where: short stacking energy: -71.434
Base-Backbone interact. energy: -0.009
local terms energy: -65.944211
where:
bonds (distance) C4'-P energy: -7.632
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -221.053728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.053728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.053728 (E_RNA)
where:
Base-Base interactions energy: -147.842
where: short stacking energy: -63.936
Base-Backbone interact. energy: -0.131
local terms energy: -73.081428
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -10.459
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: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -170.369723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.369723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.369723 (E_RNA)
where:
Base-Base interactions energy: -108.854
where: short stacking energy: -57.038
Base-Backbone interact. energy: -0.081
local terms energy: -61.435456
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -162.110275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.110275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.110275 (E_RNA)
where:
Base-Base interactions energy: -102.807
where: short stacking energy: -56.667
Base-Backbone interact. energy: -0.242
local terms energy: -59.061594
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -141.872583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.872583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.872583 (E_RNA)
where:
Base-Base interactions energy: -77.989
where: short stacking energy: -53.453
Base-Backbone interact. energy: -0.002
local terms energy: -63.881337
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -98.614896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.614896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.614896 (E_RNA)
where:
Base-Base interactions energy: -34.072
where: short stacking energy: -34.072
Base-Backbone interact. energy: -0.053
local terms energy: -64.489701
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -11.374
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: 39
Temperature: 1.200000
Total energy: -84.164094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.164094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.164094 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.170
local terms energy: -53.223055
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -4.958
tors. eta vs tors. theta energy: -2.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -94.696321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.696321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.696321 (E_RNA)
where:
Base-Base interactions energy: -45.230
where: short stacking energy: -45.230
Base-Backbone interact. energy: -0.111
local terms energy: -49.355323
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -9.801
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -10.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -86.175436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.175436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.175436 (E_RNA)
where:
Base-Base interactions energy: -34.020
where: short stacking energy: -34.020
Base-Backbone interact. energy: -0.261
local terms energy: -51.894653
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -79.028815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.028815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.028815 (E_RNA)
where:
Base-Base interactions energy: -28.882
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.218
local terms energy: -49.928038
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -6.323
tors. eta vs tors. theta energy: 0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -223.600627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.600627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.600627 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.010
local terms energy: -81.301106
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -15.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -218.085310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.085310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.085310 (E_RNA)
where:
Base-Base interactions energy: -142.473
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.012
local terms energy: -75.599690
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -19.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -162.742082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.742082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.742082 (E_RNA)
where:
Base-Base interactions energy: -90.670
where: short stacking energy: -47.688
Base-Backbone interact. energy: -0.248
local terms energy: -71.823329
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -175.093423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.093423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.093423 (E_RNA)
where:
Base-Base interactions energy: -103.701
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.057
local terms energy: -71.335953
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -115.050685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.050685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.050685 (E_RNA)
where:
Base-Base interactions energy: -43.662
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.005
local terms energy: -71.384620
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -151.495558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.495558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.495558 (E_RNA)
where:
Base-Base interactions energy: -89.665
where: short stacking energy: -46.139
Base-Backbone interact. energy: -0.099
local terms energy: -61.731402
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -7.981
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: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -96.557803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.557803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.557803 (E_RNA)
where:
Base-Base interactions energy: -38.459
where: short stacking energy: -29.276
Base-Backbone interact. energy: -1.275
local terms energy: -56.824186
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -91.664561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.664561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.664561 (E_RNA)
where:
Base-Base interactions energy: -39.975
where: short stacking energy: -29.346
Base-Backbone interact. energy: -0.256
local terms energy: -51.432849
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -80.205817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.205817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.205817 (E_RNA)
where:
Base-Base interactions energy: -23.841
where: short stacking energy: -18.800
Base-Backbone interact. energy: -0.190
local terms energy: -56.175031
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -79.849099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.849099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.849099 (E_RNA)
where:
Base-Base interactions energy: -30.517
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.013
local terms energy: -49.319851
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -6.194
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: 41
Temperature: 0.900000
Total energy: -223.542738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.542738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.542738 (E_RNA)
where:
Base-Base interactions energy: -136.421
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.011
local terms energy: -87.111288
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -22.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -210.327523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.327523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.327523 (E_RNA)
where:
Base-Base interactions energy: -139.861
where: short stacking energy: -68.401
Base-Backbone interact. energy: -0.100
local terms energy: -70.366336
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -18.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -172.409397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.409397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.409397 (E_RNA)
where:
Base-Base interactions energy: -115.160
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.150
local terms energy: -57.099912
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -174.652923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.652923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.652923 (E_RNA)
where:
Base-Base interactions energy: -103.130
where: short stacking energy: -62.860
Base-Backbone interact. energy: -0.040
local terms energy: -71.482814
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -16.267
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: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -147.645154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.645154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.645154 (E_RNA)
where:
Base-Base interactions energy: -90.348
where: short stacking energy: -39.372
Base-Backbone interact. energy: -0.224
local terms energy: -57.073593
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -3.498
tors. eta vs tors. theta energy: -6.048
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: 6, replica: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -147.637981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.637981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.637981 (E_RNA)
where:
Base-Base interactions energy: -89.891
where: short stacking energy: -51.003
Base-Backbone interact. energy: -0.093
local terms energy: -57.654470
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -95.129684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.129684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.129684 (E_RNA)
where:
Base-Base interactions energy: -44.268
where: short stacking energy: -19.316
Base-Backbone interact. energy: 0.051
local terms energy: -50.911829
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -87.239251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.239251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.239251 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -23.264
Base-Backbone interact. energy: 1.723
local terms energy: -40.581251
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -1.578
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: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -90.684344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.684344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.684344 (E_RNA)
where:
Base-Base interactions energy: -39.644
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.105
local terms energy: -50.935104
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -10.035
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -70.871298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.871298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.871298 (E_RNA)
where:
Base-Base interactions energy: -24.178
where: short stacking energy: -24.178
Base-Backbone interact. energy: 0.525
local terms energy: -47.218000
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -8.293
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: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -213.731116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731116 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.291
local terms energy: -79.268648
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -16.931
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: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -220.142717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.142717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.142717 (E_RNA)
where:
Base-Base interactions energy: -137.871
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.017
local terms energy: -82.254150
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -163.991371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.991371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.991371 (E_RNA)
where:
Base-Base interactions energy: -93.442
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.143
local terms energy: -70.405729
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -15.263
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: 42
Temperature: 1.050000
Total energy: -169.697428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.697428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.697428 (E_RNA)
where:
Base-Base interactions energy: -97.403
where: short stacking energy: -53.872
Base-Backbone interact. energy: -0.023
local terms energy: -72.270951
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -148.135858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.135858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.135858 (E_RNA)
where:
Base-Base interactions energy: -91.460
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.060
local terms energy: -56.615881
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -101.865551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.865551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.865551 (E_RNA)
where:
Base-Base interactions energy: -41.077
where: short stacking energy: -32.147
Base-Backbone interact. energy: 0.689
local terms energy: -61.477594
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -84.811924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.811924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.811924 (E_RNA)
where:
Base-Base interactions energy: -32.753
where: short stacking energy: -21.459
Base-Backbone interact. energy: 1.660
local terms energy: -53.718994
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -88.079468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079468 (E_RNA)
where:
Base-Base interactions energy: -38.699
where: short stacking energy: -22.679
Base-Backbone interact. energy: -0.280
local terms energy: -49.100515
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -7.578
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -5.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.947207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.947207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.947207 (E_RNA)
where:
Base-Base interactions energy: -28.345
where: short stacking energy: -28.345
Base-Backbone interact. energy: 0.205
local terms energy: -57.807218
where:
bonds (distance) C4'-P energy: -8.196
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -81.558829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.558829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.558829 (E_RNA)
where:
Base-Base interactions energy: -25.328
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.361
local terms energy: -55.869265
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -10.999
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -229.576818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.576818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.576818 (E_RNA)
where:
Base-Base interactions energy: -153.156
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.107
local terms energy: -76.314130
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -19.104
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: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -219.148993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.148993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.148993 (E_RNA)
where:
Base-Base interactions energy: -140.123
where: short stacking energy: -71.706
Base-Backbone interact. energy: -0.007
local terms energy: -79.018968
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -174.786426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.786426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.786426 (E_RNA)
where:
Base-Base interactions energy: -102.369
where: short stacking energy: -61.017
Base-Backbone interact. energy: -0.014
local terms energy: -72.402661
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -166.221889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.221889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.221889 (E_RNA)
where:
Base-Base interactions energy: -98.377
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.010
local terms energy: -67.834477
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -158.654562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.654562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.654562 (E_RNA)
where:
Base-Base interactions energy: -97.716
where: short stacking energy: -47.581
Base-Backbone interact. energy: -0.031
local terms energy: -60.907854
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -7.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -115.152333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.152333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.152333 (E_RNA)
where:
Base-Base interactions energy: -59.870
where: short stacking energy: -35.133
Base-Backbone interact. energy: -0.488
local terms energy: -54.793990
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -9.841
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -92.043400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.043400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.043400 (E_RNA)
where:
Base-Base interactions energy: -52.548
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.065
local terms energy: -39.430560
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -4.928
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -78.143352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.143352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.143352 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -30.623
Base-Backbone interact. energy: -0.091
local terms energy: -45.372970
where:
bonds (distance) C4'-P energy: -11.473
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -9.542
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -83.509367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.509367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.509367 (E_RNA)
where:
Base-Base interactions energy: -41.804
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.060
local terms energy: -41.645147
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -3.308
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -69.275454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.275454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.275454 (E_RNA)
where:
Base-Base interactions energy: -32.405
where: short stacking energy: -22.725
Base-Backbone interact. energy: -0.297
local terms energy: -36.573298
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -219.016486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.016486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.016486 (E_RNA)
where:
Base-Base interactions energy: -143.040
where: short stacking energy: -71.239
Base-Backbone interact. energy: -0.045
local terms energy: -75.931318
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -20.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -210.645393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.645393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.645393 (E_RNA)
where:
Base-Base interactions energy: -135.843
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.601
local terms energy: -74.201293
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -169.446938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.446938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.446938 (E_RNA)
where:
Base-Base interactions energy: -102.698
where: short stacking energy: -61.906
Base-Backbone interact. energy: -0.049
local terms energy: -66.700336
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -9.207
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -154.014353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.014353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.014353 (E_RNA)
where:
Base-Base interactions energy: -89.670
where: short stacking energy: -42.430
Base-Backbone interact. energy: -0.157
local terms energy: -64.187063
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -176.900566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.900566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.900566 (E_RNA)
where:
Base-Base interactions energy: -112.476
where: short stacking energy: -58.401
Base-Backbone interact. energy: -0.439
local terms energy: -63.985455
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -99.113545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.113545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.113545 (E_RNA)
where:
Base-Base interactions energy: -48.866
where: short stacking energy: -36.926
Base-Backbone interact. energy: -0.053
local terms energy: -50.194649
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -99.773450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.773450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.773450 (E_RNA)
where:
Base-Base interactions energy: -38.344
where: short stacking energy: -38.030
Base-Backbone interact. energy: -0.062
local terms energy: -61.367591
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -78.505222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.505222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.505222 (E_RNA)
where:
Base-Base interactions energy: -28.651
where: short stacking energy: -17.917
Base-Backbone interact. energy: -0.877
local terms energy: -48.977861
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: 3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -77.154761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.154761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.154761 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.356
local terms energy: -44.828191
where:
bonds (distance) C4'-P energy: -6.431
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -3.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -81.723445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.723445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.723445 (E_RNA)
where:
Base-Base interactions energy: -32.877
where: short stacking energy: -22.065
Base-Backbone interact. energy: -0.174
local terms energy: -48.672369
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: 0.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -217.328058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.328058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.328058 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -60.339
Base-Backbone interact. energy: -0.108
local terms energy: -72.932524
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -9.591
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -214.188063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.188063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.188063 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -66.252
Base-Backbone interact. energy: -0.130
local terms energy: -87.059240
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -174.603447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.603447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.603447 (E_RNA)
where:
Base-Base interactions energy: -103.981
where: short stacking energy: -56.755
Base-Backbone interact. energy: -0.687
local terms energy: -69.936194
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -171.818419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.818419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.818419 (E_RNA)
where:
Base-Base interactions energy: -104.576
where: short stacking energy: -47.359
Base-Backbone interact. energy: 0.170
local terms energy: -67.412619
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -154.633356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.633356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.633356 (E_RNA)
where:
Base-Base interactions energy: -94.884
where: short stacking energy: -46.443
Base-Backbone interact. energy: -0.032
local terms energy: -59.717486
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -90.035642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035642 (E_RNA)
where:
Base-Base interactions energy: -39.640
where: short stacking energy: -39.640
Base-Backbone interact. energy: -0.114
local terms energy: -50.281708
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.354
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: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -84.287276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.287276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.287276 (E_RNA)
where:
Base-Base interactions energy: -37.169
where: short stacking energy: -37.169
Base-Backbone interact. energy: -0.219
local terms energy: -46.899357
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -5.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -84.472774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.472774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.472774 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -33.275
Base-Backbone interact. energy: -0.078
local terms energy: -44.607489
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -7.746
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -4.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -79.618252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.618252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.618252 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -32.447
Base-Backbone interact. energy: -0.115
local terms energy: -47.056519
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.051
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -6.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -78.428528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.428528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.428528 (E_RNA)
where:
Base-Base interactions energy: -22.455
where: short stacking energy: -22.655
Base-Backbone interact. energy: -0.113
local terms energy: -55.860033
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -215.122003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122003 (E_RNA)
where:
Base-Base interactions energy: -139.610
where: short stacking energy: -73.740
Base-Backbone interact. energy: -0.019
local terms energy: -75.492563
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -22.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -217.243872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.243872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.243872 (E_RNA)
where:
Base-Base interactions energy: -143.551
where: short stacking energy: -62.766
Base-Backbone interact. energy: -0.346
local terms energy: -73.346893
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -18.060
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -172.183096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.183096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.183096 (E_RNA)
where:
Base-Base interactions energy: -107.953
where: short stacking energy: -46.225
Base-Backbone interact. energy: 1.306
local terms energy: -65.536505
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -12.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -162.163321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.163321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.163321 (E_RNA)
where:
Base-Base interactions energy: -97.491
where: short stacking energy: -55.087
Base-Backbone interact. energy: -0.067
local terms energy: -64.605301
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.802
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: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -150.242714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.242714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.242714 (E_RNA)
where:
Base-Base interactions energy: -85.202
where: short stacking energy: -48.074
Base-Backbone interact. energy: -0.137
local terms energy: -64.904158
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -104.427620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.427620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.427620 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -33.086
Base-Backbone interact. energy: 0.392
local terms energy: -62.187434
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -9.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -85.645336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.645336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.645336 (E_RNA)
where:
Base-Base interactions energy: -36.162
where: short stacking energy: -33.045
Base-Backbone interact. energy: -0.142
local terms energy: -49.341371
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -0.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -106.416622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.416622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.416622 (E_RNA)
where:
Base-Base interactions energy: -50.965
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.022
local terms energy: -55.429637
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -86.066534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066534 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -31.279
Base-Backbone interact. energy: -0.185
local terms energy: -52.666826
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -8.547
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: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -75.907194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.907194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.907194 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -21.894
Base-Backbone interact. energy: -0.194
local terms energy: -41.528415
where:
bonds (distance) C4'-P energy: -2.164
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -6.344
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -222.423042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.423042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.423042 (E_RNA)
where:
Base-Base interactions energy: -141.369
where: short stacking energy: -73.769
Base-Backbone interact. energy: 0.287
local terms energy: -81.341313
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -213.896279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.896279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896279 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -63.263
Base-Backbone interact. energy: -0.013
local terms energy: -76.488324
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -19.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -193.436574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.436574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.436574 (E_RNA)
where:
Base-Base interactions energy: -123.387
where: short stacking energy: -51.700
Base-Backbone interact. energy: -0.052
local terms energy: -69.997558
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -11.687
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: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -154.483682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.483682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.483682 (E_RNA)
where:
Base-Base interactions energy: -90.788
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.146
local terms energy: -63.549079
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -7.651
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -149.848492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.848492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.848492 (E_RNA)
where:
Base-Base interactions energy: -84.976
where: short stacking energy: -44.991
Base-Backbone interact. energy: 1.839
local terms energy: -66.711853
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -122.196157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.196157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.196157 (E_RNA)
where:
Base-Base interactions energy: -59.714
where: short stacking energy: -41.542
Base-Backbone interact. energy: -1.038
local terms energy: -61.444384
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -10.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -82.104692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.104692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.104692 (E_RNA)
where:
Base-Base interactions energy: -32.079
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.234
local terms energy: -49.791673
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -79.161837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.161837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.161837 (E_RNA)
where:
Base-Base interactions energy: -24.570
where: short stacking energy: -21.655
Base-Backbone interact. energy: -0.253
local terms energy: -54.339441
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -78.993754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.993754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.993754 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -26.993
Base-Backbone interact. energy: -0.406
local terms energy: -36.974689
where:
bonds (distance) C4'-P energy: -6.675
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -7.849
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: 1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -76.586880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.586880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.586880 (E_RNA)
where:
Base-Base interactions energy: -28.857
where: short stacking energy: -28.857
Base-Backbone interact. energy: -0.297
local terms energy: -47.432203
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -7.738
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: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -214.017223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.017223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.017223 (E_RNA)
where:
Base-Base interactions energy: -139.151
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.056
local terms energy: -74.809688
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -217.390425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.390425 (E_RNA)
where:
Base-Base interactions energy: -139.860
where: short stacking energy: -75.028
Base-Backbone interact. energy: -0.696
local terms energy: -76.834678
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -188.679792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679792 (E_RNA)
where:
Base-Base interactions energy: -126.157
where: short stacking energy: -60.530
Base-Backbone interact. energy: 1.836
local terms energy: -64.357909
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -15.302
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: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -167.478589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.478589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.478589 (E_RNA)
where:
Base-Base interactions energy: -96.510
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.002
local terms energy: -70.966290
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -145.874488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.874488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.874488 (E_RNA)
where:
Base-Base interactions energy: -89.989
where: short stacking energy: -51.385
Base-Backbone interact. energy: -0.191
local terms energy: -55.694315
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -10.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -90.284184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.284184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.284184 (E_RNA)
where:
Base-Base interactions energy: -26.980
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.167
local terms energy: -63.137298
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -97.856605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.856605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.856605 (E_RNA)
where:
Base-Base interactions energy: -40.067
where: short stacking energy: -33.147
Base-Backbone interact. energy: -0.343
local terms energy: -57.445680
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -83.990405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.990405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.990405 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -18.266
Base-Backbone interact. energy: -0.094
local terms energy: -48.101959
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -84.890624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890624 (E_RNA)
where:
Base-Base interactions energy: -34.075
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.112
local terms energy: -50.703677
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -7.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -76.204788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.204788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.204788 (E_RNA)
where:
Base-Base interactions energy: -26.593
where: short stacking energy: -26.593
Base-Backbone interact. energy: -0.084
local terms energy: -49.527373
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -3.479
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -223.088883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.088883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.088883 (E_RNA)
where:
Base-Base interactions energy: -143.772
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.169
local terms energy: -79.148587
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -208.324802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.324802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.324802 (E_RNA)
where:
Base-Base interactions energy: -134.555
where: short stacking energy: -69.174
Base-Backbone interact. energy: 0.666
local terms energy: -74.436383
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -20.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -202.894364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.894364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.894364 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -61.334
Base-Backbone interact. energy: -0.324
local terms energy: -70.234016
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -161.304799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.304799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.304799 (E_RNA)
where:
Base-Base interactions energy: -92.002
where: short stacking energy: -53.811
Base-Backbone interact. energy: -0.122
local terms energy: -69.179959
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -15.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -163.893935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.893935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.893935 (E_RNA)
where:
Base-Base interactions energy: -96.246
where: short stacking energy: -44.951
Base-Backbone interact. energy: 0.314
local terms energy: -67.961404
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -12.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -105.339690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.339690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.339690 (E_RNA)
where:
Base-Base interactions energy: -46.472
where: short stacking energy: -46.472
Base-Backbone interact. energy: -0.287
local terms energy: -58.581167
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -5.495
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -86.321555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.321555 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -31.398
Base-Backbone interact. energy: -0.491
local terms energy: -53.386871
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -2.433
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: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -104.907882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.907882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.907882 (E_RNA)
where:
Base-Base interactions energy: -60.196
where: short stacking energy: -19.316
Base-Backbone interact. energy: 0.748
local terms energy: -45.460209
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.462
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: 0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -83.873882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.873882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.873882 (E_RNA)
where:
Base-Base interactions energy: -31.110
where: short stacking energy: -25.454
Base-Backbone interact. energy: -0.487
local terms energy: -52.277019
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -3.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -79.714279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.714279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.714279 (E_RNA)
where:
Base-Base interactions energy: -29.816
where: short stacking energy: -20.262
Base-Backbone interact. energy: -0.160
local terms energy: -49.737547
where:
bonds (distance) C4'-P energy: -10.688
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -1.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -221.930665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.930665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.930665 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -72.460
Base-Backbone interact. energy: 0.647
local terms energy: -82.311972
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -23.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -217.083402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.083402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.083402 (E_RNA)
where:
Base-Base interactions energy: -143.304
where: short stacking energy: -74.252
Base-Backbone interact. energy: -0.099
local terms energy: -73.680199
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -19.998
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: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -199.779063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.779063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.779063 (E_RNA)
where:
Base-Base interactions energy: -128.272
where: short stacking energy: -59.085
Base-Backbone interact. energy: -0.101
local terms energy: -71.405560
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -160.143912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.143912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.143912 (E_RNA)
where:
Base-Base interactions energy: -92.187
where: short stacking energy: -55.956
Base-Backbone interact. energy: -0.238
local terms energy: -67.719199
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -15.505
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: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -149.116550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.116550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.116550 (E_RNA)
where:
Base-Base interactions energy: -89.417
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.153
local terms energy: -59.546482
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -86.174986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.174986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.174986 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -28.721
Base-Backbone interact. energy: 0.489
local terms energy: -53.017251
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -90.082036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082036 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -35.422
Base-Backbone interact. energy: -0.001
local terms energy: -52.754226
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.910
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -88.612786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.612786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.612786 (E_RNA)
where:
Base-Base interactions energy: -30.902
where: short stacking energy: -28.399
Base-Backbone interact. energy: -0.666
local terms energy: -57.045312
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.790
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: 9, replica: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -77.825347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.825347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.825347 (E_RNA)
where:
Base-Base interactions energy: -27.600
where: short stacking energy: -27.600
Base-Backbone interact. energy: -0.103
local terms energy: -50.122054
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: -2.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -68.495873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.495873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.495873 (E_RNA)
where:
Base-Base interactions energy: -22.516
where: short stacking energy: -19.860
Base-Backbone interact. energy: -0.087
local terms energy: -45.892834
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -221.320851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.320851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.320851 (E_RNA)
where:
Base-Base interactions energy: -139.096
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.047
local terms energy: -82.177940
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -226.388895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.388895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.388895 (E_RNA)
where:
Base-Base interactions energy: -143.447
where: short stacking energy: -68.673
Base-Backbone interact. energy: -0.016
local terms energy: -82.925320
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -21.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -198.307582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.307582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.307582 (E_RNA)
where:
Base-Base interactions energy: -128.141
where: short stacking energy: -57.381
Base-Backbone interact. energy: 0.020
local terms energy: -70.186726
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -171.566880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.566880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566880 (E_RNA)
where:
Base-Base interactions energy: -106.052
where: short stacking energy: -69.698
Base-Backbone interact. energy: -0.060
local terms energy: -65.455200
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -144.018614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.018614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.018614 (E_RNA)
where:
Base-Base interactions energy: -95.018
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.945
local terms energy: -48.055688
where:
bonds (distance) C4'-P energy: -9.501
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -98.087672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.087672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.087672 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -43.970
Base-Backbone interact. energy: 1.376
local terms energy: -51.031326
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -10.775
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: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -89.857354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.857354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.857354 (E_RNA)
where:
Base-Base interactions energy: -38.931
where: short stacking energy: -29.564
Base-Backbone interact. energy: -0.169
local terms energy: -50.756564
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -91.077297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.077297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.077297 (E_RNA)
where:
Base-Base interactions energy: -32.037
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.020
local terms energy: -59.020177
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -88.742740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.742740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.742740 (E_RNA)
where:
Base-Base interactions energy: -39.625
where: short stacking energy: -39.625
Base-Backbone interact. energy: -0.257
local terms energy: -48.861065
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -3.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -86.713789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.713789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.713789 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -18.921
Base-Backbone interact. energy: 0.815
local terms energy: -47.278835
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -7.801
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: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -223.693599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.693599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.693599 (E_RNA)
where:
Base-Base interactions energy: -143.238
where: short stacking energy: -77.870
Base-Backbone interact. energy: -0.009
local terms energy: -80.446490
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -20.998
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: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -216.516528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.516528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.516528 (E_RNA)
where:
Base-Base interactions energy: -140.600
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.029
local terms energy: -75.887123
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -198.516385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.516385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.516385 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -58.936
Base-Backbone interact. energy: -0.111
local terms energy: -66.489330
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -7.141
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -159.952719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.952719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.952719 (E_RNA)
where:
Base-Base interactions energy: -93.720
where: short stacking energy: -46.933
Base-Backbone interact. energy: -0.739
local terms energy: -65.494055
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -161.100453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.100453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.100453 (E_RNA)
where:
Base-Base interactions energy: -93.746
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.134
local terms energy: -67.220115
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -82.277781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.277781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.277781 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.595
local terms energy: -48.817205
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -106.249859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.249859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.249859 (E_RNA)
where:
Base-Base interactions energy: -40.091
where: short stacking energy: -36.412
Base-Backbone interact. energy: 1.839
local terms energy: -67.997536
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -11.691
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: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -84.005349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.005349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.005349 (E_RNA)
where:
Base-Base interactions energy: -28.806
where: short stacking energy: -28.806
Base-Backbone interact. energy: -0.082
local terms energy: -55.116786
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.851
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: 9, replica: 3
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -91.114006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.114006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.114006 (E_RNA)
where:
Base-Base interactions energy: -45.777
where: short stacking energy: -30.285
Base-Backbone interact. energy: -0.094
local terms energy: -45.243197
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -6.143
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: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -86.517796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.517796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.517796 (E_RNA)
where:
Base-Base interactions energy: -42.207
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.175
local terms energy: -44.135628
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -218.790622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.790622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.790622 (E_RNA)
where:
Base-Base interactions energy: -140.399
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.567
local terms energy: -77.824735
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -220.311949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311949 (E_RNA)
where:
Base-Base interactions energy: -139.427
where: short stacking energy: -70.244
Base-Backbone interact. energy: 1.248
local terms energy: -82.132423
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -18.559
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -176.523478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.523478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.523478 (E_RNA)
where:
Base-Base interactions energy: -110.961
where: short stacking energy: -58.294
Base-Backbone interact. energy: -0.347
local terms energy: -65.215159
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.459
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -14.114
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: 4, replica: 1
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -156.645683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.645683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.645683 (E_RNA)
where:
Base-Base interactions energy: -93.642
where: short stacking energy: -44.710
Base-Backbone interact. energy: -1.066
local terms energy: -61.938367
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -5.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -138.206190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.206190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.206190 (E_RNA)
where:
Base-Base interactions energy: -81.503
where: short stacking energy: -47.932
Base-Backbone interact. energy: -0.147
local terms energy: -56.556052
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -1.023
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -100.019855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.019855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.019855 (E_RNA)
where:
Base-Base interactions energy: -46.532
where: short stacking energy: -46.532
Base-Backbone interact. energy: -0.007
local terms energy: -53.481149
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -6.913
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: 10
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -96.982394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.982394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.982394 (E_RNA)
where:
Base-Base interactions energy: -38.586
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.162
local terms energy: -58.234100
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -9.326
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: 8, replica: 3
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -87.645502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.645502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.645502 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -34.726
Base-Backbone interact. energy: -0.819
local terms energy: -52.100221
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -7.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -76.955193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.955193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.955193 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -22.742
Base-Backbone interact. energy: -0.150
local terms energy: -45.396601
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -8.670
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -71.117279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.117279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.117279 (E_RNA)
where:
Base-Base interactions energy: -24.751
where: short stacking energy: -22.824
Base-Backbone interact. energy: -0.164
local terms energy: -46.202038
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -219.886559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.886559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.886559 (E_RNA)
where:
Base-Base interactions energy: -141.433
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.009
local terms energy: -78.445329
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.512
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -20.405
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: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -220.605730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.605730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.605730 (E_RNA)
where:
Base-Base interactions energy: -146.888
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.014
local terms energy: -73.704186
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -16.906
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: 3, replica: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -166.226128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.226128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.226128 (E_RNA)
where:
Base-Base interactions energy: -97.538
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.504
local terms energy: -68.184260
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -156.692441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.692441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.692441 (E_RNA)
where:
Base-Base interactions energy: -99.572
where: short stacking energy: -39.972
Base-Backbone interact. energy: -0.379
local terms energy: -56.741872
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -137.092142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.092142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.092142 (E_RNA)
where:
Base-Base interactions energy: -76.021
where: short stacking energy: -56.660
Base-Backbone interact. energy: -0.001
local terms energy: -61.070322
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -8.945
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -97.180756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.180756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.180756 (E_RNA)
where:
Base-Base interactions energy: -40.807
where: short stacking energy: -40.807
Base-Backbone interact. energy: -0.004
local terms energy: -56.369733
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -91.850390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.850390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.850390 (E_RNA)
where:
Base-Base interactions energy: -45.810
where: short stacking energy: -25.631
Base-Backbone interact. energy: 0.415
local terms energy: -46.455467
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -77.219582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.219582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.219582 (E_RNA)
where:
Base-Base interactions energy: -30.739
where: short stacking energy: -30.739
Base-Backbone interact. energy: -0.117
local terms energy: -46.362659
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -7.794
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -95.763385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.763385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.763385 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -33.815
Base-Backbone interact. energy: -0.110
local terms energy: -47.221981
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -3.728
tors. eta vs tors. theta energy: -5.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -70.563952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.563952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.563952 (E_RNA)
where:
Base-Base interactions energy: -29.218
where: short stacking energy: -25.352
Base-Backbone interact. energy: 0.217
local terms energy: -41.563645
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -7.661
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -227.163411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.163411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.163411 (E_RNA)
where:
Base-Base interactions energy: -144.989
where: short stacking energy: -76.000
Base-Backbone interact. energy: -0.598
local terms energy: -81.576439
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -219.787870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.787870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.787870 (E_RNA)
where:
Base-Base interactions energy: -141.285
where: short stacking energy: -74.709
Base-Backbone interact. energy: -0.383
local terms energy: -78.119964
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -19.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -171.349225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.349225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.349225 (E_RNA)
where:
Base-Base interactions energy: -102.273
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.558
local terms energy: -68.517700
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -19.807
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -111.554004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.554004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.554004 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -42.865
Base-Backbone interact. energy: -0.034
local terms energy: -69.454883
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -164.755781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.755781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.755781 (E_RNA)
where:
Base-Base interactions energy: -98.594
where: short stacking energy: -48.179
Base-Backbone interact. energy: -0.028
local terms energy: -66.134119
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -10.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -86.410859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.410859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.410859 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -27.599
Base-Backbone interact. energy: -0.033
local terms energy: -55.123898
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -4.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -91.600377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.600377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.600377 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -24.447
Base-Backbone interact. energy: -0.267
local terms energy: -52.504801
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -5.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -75.645063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.645063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.645063 (E_RNA)
where:
Base-Base interactions energy: -21.490
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.055
local terms energy: -54.100453
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -0.522
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: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -87.185282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.185282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.185282 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.183
local terms energy: -43.656967
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -9.409
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -74.755689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.755689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.755689 (E_RNA)
where:
Base-Base interactions energy: -27.516
where: short stacking energy: -27.072
Base-Backbone interact. energy: -0.126
local terms energy: -47.113987
where:
bonds (distance) C4'-P energy: -8.640
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -218.944374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.944374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.944374 (E_RNA)
where:
Base-Base interactions energy: -135.128
where: short stacking energy: -69.513
Base-Backbone interact. energy: -0.003
local terms energy: -83.813761
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -217.116747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.116747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.116747 (E_RNA)
where:
Base-Base interactions energy: -134.282
where: short stacking energy: -69.108
Base-Backbone interact. energy: -0.006
local terms energy: -82.829375
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -17.699
flat angles P-C4'-P energy: -13.999
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: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -172.180598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180598 (E_RNA)
where:
Base-Base interactions energy: -104.667
where: short stacking energy: -61.920
Base-Backbone interact. energy: -0.001
local terms energy: -67.512248
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -117.246856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.246856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.246856 (E_RNA)
where:
Base-Base interactions energy: -55.355
where: short stacking energy: -43.725
Base-Backbone interact. energy: -0.033
local terms energy: -61.858857
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -9.054
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: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -151.016000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.016000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.016000 (E_RNA)
where:
Base-Base interactions energy: -86.136
where: short stacking energy: -38.108
Base-Backbone interact. energy: 0.680
local terms energy: -65.559679
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -97.829042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.829042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.829042 (E_RNA)
where:
Base-Base interactions energy: -38.448
where: short stacking energy: -38.448
Base-Backbone interact. energy: -0.180
local terms energy: -59.201213
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -83.824995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.824995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.824995 (E_RNA)
where:
Base-Base interactions energy: -26.413
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.407
local terms energy: -57.004420
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -75.437204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.437204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.437204 (E_RNA)
where:
Base-Base interactions energy: -32.724
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.290
local terms energy: -42.423456
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -7.987
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -78.189144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.189144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.189144 (E_RNA)
where:
Base-Base interactions energy: -35.635
where: short stacking energy: -19.856
Base-Backbone interact. energy: -0.281
local terms energy: -42.272484
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: 4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.971043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.971043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.971043 (E_RNA)
where:
Base-Base interactions energy: -27.040
where: short stacking energy: -27.140
Base-Backbone interact. energy: -0.068
local terms energy: -50.863025
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -221.744137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.744137 (E_RNA)
where:
Base-Base interactions energy: -142.347
where: short stacking energy: -74.846
Base-Backbone interact. energy: -0.005
local terms energy: -79.392406
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -21.236
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: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -175.711891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711891 (E_RNA)
where:
Base-Base interactions energy: -102.040
where: short stacking energy: -60.240
Base-Backbone interact. energy: -0.174
local terms energy: -73.497969
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -206.864928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.864928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.864928 (E_RNA)
where:
Base-Base interactions energy: -136.252
where: short stacking energy: -62.932
Base-Backbone interact. energy: -0.012
local terms energy: -70.601098
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -180.141908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.141908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.141908 (E_RNA)
where:
Base-Base interactions energy: -116.053
where: short stacking energy: -52.855
Base-Backbone interact. energy: 0.694
local terms energy: -64.782739
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -12.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -99.947132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.947132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.947132 (E_RNA)
where:
Base-Base interactions energy: -48.496
where: short stacking energy: -39.750
Base-Backbone interact. energy: -0.829
local terms energy: -50.622206
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -101.433561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.433561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.433561 (E_RNA)
where:
Base-Base interactions energy: -39.079
where: short stacking energy: -38.566
Base-Backbone interact. energy: -0.096
local terms energy: -62.258447
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -4.575
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -90.293914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.293914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.293914 (E_RNA)
where:
Base-Base interactions energy: -34.595
where: short stacking energy: -30.029
Base-Backbone interact. energy: -0.204
local terms energy: -55.495079
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -10.078
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -5.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -84.765042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765042 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -28.829
Base-Backbone interact. energy: -0.361
local terms energy: -50.604797
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -1.015
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: 4
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -75.327733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.327733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.327733 (E_RNA)
where:
Base-Base interactions energy: -23.330
where: short stacking energy: -23.330
Base-Backbone interact. energy: -0.068
local terms energy: -51.929720
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -79.211612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.211612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.211612 (E_RNA)
where:
Base-Base interactions energy: -23.994
where: short stacking energy: -23.834
Base-Backbone interact. energy: -0.269
local terms energy: -54.948729
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: 2.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -219.036946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.036946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.036946 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.386
local terms energy: -83.029615
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -182.582946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.582946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.582946 (E_RNA)
where:
Base-Base interactions energy: -110.775
where: short stacking energy: -63.993
Base-Backbone interact. energy: -0.081
local terms energy: -71.727547
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -208.580195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.580195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.580195 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.001
local terms energy: -77.670900
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -16.415
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: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -168.044105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.044105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.044105 (E_RNA)
where:
Base-Base interactions energy: -102.149
where: short stacking energy: -43.749
Base-Backbone interact. energy: -0.227
local terms energy: -65.667882
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -12.942
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: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -108.134712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.134712 (E_RNA)
where:
Base-Base interactions energy: -46.332
where: short stacking energy: -46.332
Base-Backbone interact. energy: -0.029
local terms energy: -61.773587
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -13.842
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -103.121586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.121586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.121586 (E_RNA)
where:
Base-Base interactions energy: -36.855
where: short stacking energy: -36.063
Base-Backbone interact. energy: -0.181
local terms energy: -66.084692
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -91.619342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619342 (E_RNA)
where:
Base-Base interactions energy: -39.354
where: short stacking energy: -34.457
Base-Backbone interact. energy: -0.226
local terms energy: -52.039741
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -92.566362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566362 (E_RNA)
where:
Base-Base interactions energy: -40.106
where: short stacking energy: -29.391
Base-Backbone interact. energy: -0.244
local terms energy: -52.216332
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -8.368
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -87.144942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.144942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.144942 (E_RNA)
where:
Base-Base interactions energy: -36.623
where: short stacking energy: -24.042
Base-Backbone interact. energy: -0.151
local terms energy: -50.370856
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -2.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -76.963391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.963391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.963391 (E_RNA)
where:
Base-Base interactions energy: -36.985
where: short stacking energy: -28.516
Base-Backbone interact. energy: -0.136
local terms energy: -39.843024
where:
bonds (distance) C4'-P energy: -10.965
bonds (distance) P-C4' energy: -9.131
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: 0.471
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: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -227.128187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.128187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.128187 (E_RNA)
where:
Base-Base interactions energy: -140.647
where: short stacking energy: -76.857
Base-Backbone interact. energy: -0.050
local terms energy: -86.431132
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -23.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -205.415760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.415760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.415760 (E_RNA)
where:
Base-Base interactions energy: -131.479
where: short stacking energy: -70.378
Base-Backbone interact. energy: -0.013
local terms energy: -73.923775
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -19.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -178.045651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.045651 (E_RNA)
where:
Base-Base interactions energy: -110.549
where: short stacking energy: -52.797
Base-Backbone interact. energy: -0.196
local terms energy: -67.300689
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -7.285
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: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -108.669857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.669857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.669857 (E_RNA)
where:
Base-Base interactions energy: -52.415
where: short stacking energy: -41.026
Base-Backbone interact. energy: -0.104
local terms energy: -56.151223
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -158.479697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.479697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.479697 (E_RNA)
where:
Base-Base interactions energy: -96.028
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.173
local terms energy: -62.279015
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -13.797
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: 59
Temperature: 1.150000
Total energy: -105.255794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.255794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.255794 (E_RNA)
where:
Base-Base interactions energy: -50.386
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.228
local terms energy: -54.642021
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -92.409411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.409411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.409411 (E_RNA)
where:
Base-Base interactions energy: -45.494
where: short stacking energy: -32.562
Base-Backbone interact. energy: -0.319
local terms energy: -46.597301
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -8.726
flat angles P-C4'-P energy: -1.173
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: 8, replica: 2
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -145.275267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.275267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.275267 (E_RNA)
where:
Base-Base interactions energy: -80.830
where: short stacking energy: -45.716
Base-Backbone interact. energy: -0.020
local terms energy: -64.425736
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -83.221511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.221511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.221511 (E_RNA)
where:
Base-Base interactions energy: -29.133
where: short stacking energy: -20.941
Base-Backbone interact. energy: -0.076
local terms energy: -54.012160
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -76.269742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.269742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.269742 (E_RNA)
where:
Base-Base interactions energy: -32.466
where: short stacking energy: -17.097
Base-Backbone interact. energy: -1.067
local terms energy: -42.737075
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -223.093469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093469 (E_RNA)
where:
Base-Base interactions energy: -146.900
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.026
local terms energy: -76.167562
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -23.921
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: 9
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -204.794624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.794624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.794624 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -61.760
Base-Backbone interact. energy: 0.693
local terms energy: -74.550156
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -187.255446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.255446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.255446 (E_RNA)
where:
Base-Base interactions energy: -118.147
where: short stacking energy: -52.800
Base-Backbone interact. energy: 0.036
local terms energy: -69.144288
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -103.862163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.862163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.862163 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -45.030
Base-Backbone interact. energy: -0.098
local terms energy: -58.733629
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -145.784653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.784653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.784653 (E_RNA)
where:
Base-Base interactions energy: -91.243
where: short stacking energy: -44.902
Base-Backbone interact. energy: 2.637
local terms energy: -57.178648
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -93.270751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.270751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.270751 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.099
local terms energy: -51.513355
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -8.973
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: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -131.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.510747 (E_RNA)
where:
Base-Base interactions energy: -80.336
where: short stacking energy: -41.737
Base-Backbone interact. energy: 0.254
local terms energy: -51.428554
where:
bonds (distance) C4'-P energy: -6.925
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -89.995521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995521 (E_RNA)
where:
Base-Base interactions energy: -35.895
where: short stacking energy: -35.571
Base-Backbone interact. energy: 0.963
local terms energy: -55.063589
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -86.997898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997898 (E_RNA)
where:
Base-Base interactions energy: -33.373
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.019
local terms energy: -53.605720
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -3.828
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -79.158197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.158197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.158197 (E_RNA)
where:
Base-Base interactions energy: -25.268
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.132
local terms energy: -53.757396
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -8.417
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: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -222.525544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.525544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.525544 (E_RNA)
where:
Base-Base interactions energy: -145.492
where: short stacking energy: -64.129
Base-Backbone interact. energy: -0.439
local terms energy: -76.594851
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -206.346507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.346507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.346507 (E_RNA)
where:
Base-Base interactions energy: -128.896
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.585
local terms energy: -76.864802
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -170.974287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.974287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.974287 (E_RNA)
where:
Base-Base interactions energy: -106.200
where: short stacking energy: -56.143
Base-Backbone interact. energy: 1.121
local terms energy: -65.895269
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -154.246311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.246311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.246311 (E_RNA)
where:
Base-Base interactions energy: -94.921
where: short stacking energy: -47.931
Base-Backbone interact. energy: 0.564
local terms energy: -59.889629
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -98.162134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.162134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.162134 (E_RNA)
where:
Base-Base interactions energy: -50.701
where: short stacking energy: -33.193
Base-Backbone interact. energy: -1.142
local terms energy: -46.318609
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -8.946
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -108.967676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.967676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.967676 (E_RNA)
where:
Base-Base interactions energy: -55.494
where: short stacking energy: -30.711
Base-Backbone interact. energy: 0.882
local terms energy: -54.355559
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -101.286085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.286085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.286085 (E_RNA)
where:
Base-Base interactions energy: -48.621
where: short stacking energy: -34.176
Base-Backbone interact. energy: 1.461
local terms energy: -54.126190
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -9.609
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -87.773849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.773849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.773849 (E_RNA)
where:
Base-Base interactions energy: -32.823
where: short stacking energy: -30.986
Base-Backbone interact. energy: -0.122
local terms energy: -54.828575
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -7.476
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: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -76.809826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.809826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.809826 (E_RNA)
where:
Base-Base interactions energy: -25.639
where: short stacking energy: -19.189
Base-Backbone interact. energy: -0.108
local terms energy: -51.062546
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -72.073359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.073359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.073359 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.174
local terms energy: -45.944763
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -226.743717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.743717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.743717 (E_RNA)
where:
Base-Base interactions energy: -147.868
where: short stacking energy: -79.643
Base-Backbone interact. energy: -0.062
local terms energy: -78.813474
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -218.126131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.126131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.126131 (E_RNA)
where:
Base-Base interactions energy: -136.488
where: short stacking energy: -70.180
Base-Backbone interact. energy: -0.018
local terms energy: -81.619546
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -189.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.044791 (E_RNA)
where:
Base-Base interactions energy: -117.101
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.361
local terms energy: -71.582520
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -165.297248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.297248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.297248 (E_RNA)
where:
Base-Base interactions energy: -101.724
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.042
local terms energy: -63.530672
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -101.882696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.882696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.882696 (E_RNA)
where:
Base-Base interactions energy: -42.349
where: short stacking energy: -37.162
Base-Backbone interact. energy: -0.013
local terms energy: -59.521053
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -104.783410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.783410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.783410 (E_RNA)
where:
Base-Base interactions energy: -43.317
where: short stacking energy: -43.317
Base-Backbone interact. energy: 0.373
local terms energy: -61.839496
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -6.441
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -86.862653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.862653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.862653 (E_RNA)
where:
Base-Base interactions energy: -33.765
where: short stacking energy: -23.899
Base-Backbone interact. energy: 1.871
local terms energy: -54.968701
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.355
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: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -77.737869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.737869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.737869 (E_RNA)
where:
Base-Base interactions energy: -36.424
where: short stacking energy: -16.772
Base-Backbone interact. energy: -0.519
local terms energy: -40.794247
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -2.866
tors. eta vs tors. theta energy: 1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -95.353024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353024 (E_RNA)
where:
Base-Base interactions energy: -37.835
where: short stacking energy: -37.835
Base-Backbone interact. energy: -0.061
local terms energy: -57.457280
where:
bonds (distance) C4'-P energy: -8.900
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -5.144
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: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -79.336885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.336885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.336885 (E_RNA)
where:
Base-Base interactions energy: -28.453
where: short stacking energy: -26.426
Base-Backbone interact. energy: -0.019
local terms energy: -50.864908
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -10.104
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: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -220.136636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.136636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.136636 (E_RNA)
where:
Base-Base interactions energy: -140.594
where: short stacking energy: -71.576
Base-Backbone interact. energy: -0.600
local terms energy: -78.942595
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -180.408408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.408408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.408408 (E_RNA)
where:
Base-Base interactions energy: -107.120
where: short stacking energy: -61.662
Base-Backbone interact. energy: -0.011
local terms energy: -73.277988
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -14.579
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -211.651623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.651623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.651623 (E_RNA)
where:
Base-Base interactions energy: -132.951
where: short stacking energy: -69.991
Base-Backbone interact. energy: -0.035
local terms energy: -78.665972
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -163.044683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.044683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.044683 (E_RNA)
where:
Base-Base interactions energy: -91.907
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.002
local terms energy: -71.136393
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -18.027
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: 63
Temperature: 1.100000
Total energy: -98.087580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.087580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.087580 (E_RNA)
where:
Base-Base interactions energy: -45.815
where: short stacking energy: -45.815
Base-Backbone interact. energy: 0.089
local terms energy: -52.362338
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -104.011978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.011978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.011978 (E_RNA)
where:
Base-Base interactions energy: -45.541
where: short stacking energy: -45.541
Base-Backbone interact. energy: -0.050
local terms energy: -58.420716
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -8.680
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -86.883001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.883001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.883001 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -23.700
Base-Backbone interact. energy: -0.230
local terms energy: -54.906389
where:
bonds (distance) C4'-P energy: -9.854
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -2.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -80.456720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456720 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -26.557
Base-Backbone interact. energy: -0.277
local terms energy: -52.279438
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -12.587
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -0.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -76.244461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.244461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.244461 (E_RNA)
where:
Base-Base interactions energy: -27.908
where: short stacking energy: -20.778
Base-Backbone interact. energy: -1.582
local terms energy: -46.754412
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -77.319362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.319362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.319362 (E_RNA)
where:
Base-Base interactions energy: -32.520
where: short stacking energy: -28.590
Base-Backbone interact. energy: -0.163
local terms energy: -44.635984
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -4.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -221.633718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.633718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.633718 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -81.005
Base-Backbone interact. energy: -0.087
local terms energy: -78.421164
where:
bonds (distance) C4'-P energy: -10.662
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -185.193656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.193656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.193656 (E_RNA)
where:
Base-Base interactions energy: -115.106
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.005
local terms energy: -70.083207
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -215.069671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.069671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.069671 (E_RNA)
where:
Base-Base interactions energy: -140.965
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.851
local terms energy: -73.253384
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -177.050237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.050237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.050237 (E_RNA)
where:
Base-Base interactions energy: -107.722
where: short stacking energy: -68.158
Base-Backbone interact. energy: -0.002
local terms energy: -69.326814
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -97.094459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094459 (E_RNA)
where:
Base-Base interactions energy: -39.736
where: short stacking energy: -39.736
Base-Backbone interact. energy: -0.005
local terms energy: -57.353841
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -97.798188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.798188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.798188 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -35.854
Base-Backbone interact. energy: -0.112
local terms energy: -61.468394
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -9.804
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: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -93.076941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.076941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.076941 (E_RNA)
where:
Base-Base interactions energy: -42.096
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.212
local terms energy: -50.769457
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: 1.129
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -86.040417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.040417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.040417 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -18.395
Base-Backbone interact. energy: -0.236
local terms energy: -55.417542
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -72.206315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.206315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.206315 (E_RNA)
where:
Base-Base interactions energy: -30.989
where: short stacking energy: -18.478
Base-Backbone interact. energy: 1.718
local terms energy: -42.935012
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -91.682607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.682607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.682607 (E_RNA)
where:
Base-Base interactions energy: -35.881
where: short stacking energy: -34.276
Base-Backbone interact. energy: -0.293
local terms energy: -55.508548
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -6.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -220.348325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.348325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.348325 (E_RNA)
where:
Base-Base interactions energy: -139.753
where: short stacking energy: -72.677
Base-Backbone interact. energy: -0.252
local terms energy: -80.343317
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -221.927694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927694 (E_RNA)
where:
Base-Base interactions energy: -146.128
where: short stacking energy: -77.224
Base-Backbone interact. energy: -0.021
local terms energy: -75.778392
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -17.143
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -172.128134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.128134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.128134 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.002
local terms energy: -70.098880
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -169.452060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.452060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.452060 (E_RNA)
where:
Base-Base interactions energy: -95.297
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.011
local terms energy: -74.143910
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -102.046539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.046539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.046539 (E_RNA)
where:
Base-Base interactions energy: -44.079
where: short stacking energy: -33.046
Base-Backbone interact. energy: -0.216
local terms energy: -57.751830
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -95.662675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.662675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.662675 (E_RNA)
where:
Base-Base interactions energy: -40.216
where: short stacking energy: -39.152
Base-Backbone interact. energy: 0.023
local terms energy: -55.469246
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -8.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -91.297402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.297402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.297402 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -26.633
Base-Backbone interact. energy: 0.057
local terms energy: -59.595601
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -3.793
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: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -97.774222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.774222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.774222 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -37.480
Base-Backbone interact. energy: 0.713
local terms energy: -61.007264
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -11.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -77.877593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.877593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.877593 (E_RNA)
where:
Base-Base interactions energy: -35.784
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.247
local terms energy: -41.846291
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -71.778641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.778641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.778641 (E_RNA)
where:
Base-Base interactions energy: -23.161
where: short stacking energy: -13.962
Base-Backbone interact. energy: -0.276
local terms energy: -48.341219
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -2.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -223.943016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.943016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.943016 (E_RNA)
where:
Base-Base interactions energy: -143.231
where: short stacking energy: -79.377
Base-Backbone interact. energy: -0.071
local terms energy: -80.640455
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -23.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -213.290709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.290709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.290709 (E_RNA)
where:
Base-Base interactions energy: -137.922
where: short stacking energy: -71.755
Base-Backbone interact. energy: -0.666
local terms energy: -74.702900
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -10.934
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: 3, replica: 7
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -166.014852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.014852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.014852 (E_RNA)
where:
Base-Base interactions energy: -93.088
where: short stacking energy: -52.670
Base-Backbone interact. energy: -0.296
local terms energy: -72.630885
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -166.832674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.832674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.832674 (E_RNA)
where:
Base-Base interactions energy: -91.579
where: short stacking energy: -49.367
Base-Backbone interact. energy: -0.038
local terms energy: -75.215630
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -104.939639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.939639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.939639 (E_RNA)
where:
Base-Base interactions energy: -41.420
where: short stacking energy: -41.420
Base-Backbone interact. energy: -0.112
local terms energy: -63.407439
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -10.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -95.841981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.841981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.841981 (E_RNA)
where:
Base-Base interactions energy: -42.128
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.114
local terms energy: -53.600201
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -3.458
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -132.488545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.488545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.488545 (E_RNA)
where:
Base-Base interactions energy: -73.209
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.134
local terms energy: -59.145115
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -11.125
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: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -78.231523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.231523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.231523 (E_RNA)
where:
Base-Base interactions energy: -29.927
where: short stacking energy: -27.354
Base-Backbone interact. energy: 0.220
local terms energy: -48.523942
where:
bonds (distance) C4'-P energy: -5.789
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -84.326204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.326204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.326204 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -22.594
Base-Backbone interact. energy: -0.203
local terms energy: -49.810552
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -89.212037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.212037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.212037 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -27.713
Base-Backbone interact. energy: 0.200
local terms energy: -50.966226
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -9.941
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -217.253918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.253918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.253918 (E_RNA)
where:
Base-Base interactions energy: -143.367
where: short stacking energy: -71.411
Base-Backbone interact. energy: -0.003
local terms energy: -73.884690
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.849
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: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -216.967917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.967917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.967917 (E_RNA)
where:
Base-Base interactions energy: -139.124
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.053
local terms energy: -77.791248
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -177.207607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.207607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.207607 (E_RNA)
where:
Base-Base interactions energy: -102.146
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.012
local terms energy: -75.049133
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -15.028
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: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -164.312785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.312785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.312785 (E_RNA)
where:
Base-Base interactions energy: -101.794
where: short stacking energy: -57.632
Base-Backbone interact. energy: 0.487
local terms energy: -63.005903
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -98.961559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.961559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.961559 (E_RNA)
where:
Base-Base interactions energy: -46.434
where: short stacking energy: -38.293
Base-Backbone interact. energy: -0.095
local terms energy: -52.433215
where:
bonds (distance) C4'-P energy: -6.556
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -6.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -186.625847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.625847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.625847 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -56.364
Base-Backbone interact. energy: -0.943
local terms energy: -52.702746
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -93.163609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.163609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.163609 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.130
local terms energy: -62.210579
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -9.580
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: 8, replica: 3
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -91.634949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.634949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.634949 (E_RNA)
where:
Base-Base interactions energy: -33.799
where: short stacking energy: -33.799
Base-Backbone interact. energy: -0.201
local terms energy: -57.634256
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.396142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.396142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.396142 (E_RNA)
where:
Base-Base interactions energy: -32.921
where: short stacking energy: -29.579
Base-Backbone interact. energy: 0.112
local terms energy: -48.587133
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -1.538
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: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -73.427508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.427508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.427508 (E_RNA)
where:
Base-Base interactions energy: -25.820
where: short stacking energy: -25.820
Base-Backbone interact. energy: 0.489
local terms energy: -48.095888
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -1.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -219.236233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.236233 (E_RNA)
where:
Base-Base interactions energy: -145.870
where: short stacking energy: -70.114
Base-Backbone interact. energy: -0.014
local terms energy: -73.352711
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -220.369486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.369486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.369486 (E_RNA)
where:
Base-Base interactions energy: -144.988
where: short stacking energy: -72.617
Base-Backbone interact. energy: -0.035
local terms energy: -75.346281
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -172.806668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.806668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.806668 (E_RNA)
where:
Base-Base interactions energy: -99.281
where: short stacking energy: -51.698
Base-Backbone interact. energy: -0.002
local terms energy: -73.523785
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -171.510320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.510320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.510320 (E_RNA)
where:
Base-Base interactions energy: -104.322
where: short stacking energy: -58.537
Base-Backbone interact. energy: 0.029
local terms energy: -67.217016
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -199.486031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.486031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.486031 (E_RNA)
where:
Base-Base interactions energy: -132.823
where: short stacking energy: -69.607
Base-Backbone interact. energy: -0.645
local terms energy: -66.017932
where:
bonds (distance) C4'-P energy: -5.343
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -19.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -95.197401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.197401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.197401 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.086
local terms energy: -61.492180
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -86.652585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.652585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.652585 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -31.622
Base-Backbone interact. energy: -0.085
local terms energy: -54.945837
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -2.512
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: 3
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -79.517944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517944 (E_RNA)
where:
Base-Base interactions energy: -30.599
where: short stacking energy: -30.599
Base-Backbone interact. energy: 1.645
local terms energy: -50.563930
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -3.090
tors. eta vs tors. theta energy: -4.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -79.513181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.513181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.513181 (E_RNA)
where:
Base-Base interactions energy: -27.212
where: short stacking energy: -24.528
Base-Backbone interact. energy: -0.110
local terms energy: -52.191255
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -10.324
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: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -79.455703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.455703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.455703 (E_RNA)
where:
Base-Base interactions energy: -25.358
where: short stacking energy: -24.899
Base-Backbone interact. energy: 1.487
local terms energy: -55.584931
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -224.595442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.595442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.595442 (E_RNA)
where:
Base-Base interactions energy: -143.593
where: short stacking energy: -74.113
Base-Backbone interact. energy: -0.042
local terms energy: -80.959985
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -212.204381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.204381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.204381 (E_RNA)
where:
Base-Base interactions energy: -137.859
where: short stacking energy: -65.804
Base-Backbone interact. energy: -0.128
local terms energy: -74.217634
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -18.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -170.238468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.238468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.238468 (E_RNA)
where:
Base-Base interactions energy: -103.156
where: short stacking energy: -52.967
Base-Backbone interact. energy: 0.139
local terms energy: -67.221719
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -12.263
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: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -205.186241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.186241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186241 (E_RNA)
where:
Base-Base interactions energy: -136.191
where: short stacking energy: -65.760
Base-Backbone interact. energy: -0.470
local terms energy: -68.525881
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -158.024614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.024614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.024614 (E_RNA)
where:
Base-Base interactions energy: -96.268
where: short stacking energy: -47.965
Base-Backbone interact. energy: -0.105
local terms energy: -61.651955
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -94.699072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.699072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.699072 (E_RNA)
where:
Base-Base interactions energy: -39.863
where: short stacking energy: -37.842
Base-Backbone interact. energy: -0.323
local terms energy: -54.512695
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -8.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -95.626425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626425 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -27.718
Base-Backbone interact. energy: -1.211
local terms energy: -50.063001
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: 0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -90.407564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.407564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.407564 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.131
local terms energy: -53.093321
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -76.117163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.117163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.117163 (E_RNA)
where:
Base-Base interactions energy: -23.555
where: short stacking energy: -22.153
Base-Backbone interact. energy: -0.211
local terms energy: -52.350967
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -75.624839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.624839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.624839 (E_RNA)
where:
Base-Base interactions energy: -26.260
where: short stacking energy: -21.278
Base-Backbone interact. energy: -0.684
local terms energy: -48.681668
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -10.920
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: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -225.042417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.042417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.042417 (E_RNA)
where:
Base-Base interactions energy: -143.809
where: short stacking energy: -73.668
Base-Backbone interact. energy: 0.790
local terms energy: -82.023652
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -22.413
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: 70
Temperature: 0.950000
Total energy: -218.104776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.104776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.104776 (E_RNA)
where:
Base-Base interactions energy: -141.023
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.728
local terms energy: -76.353242
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -11.657
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -218.937166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.937166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.937166 (E_RNA)
where:
Base-Base interactions energy: -135.748
where: short stacking energy: -69.126
Base-Backbone interact. energy: -0.014
local terms energy: -83.174606
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -21.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -163.615503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.615503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.615503 (E_RNA)
where:
Base-Base interactions energy: -100.879
where: short stacking energy: -51.168
Base-Backbone interact. energy: -0.246
local terms energy: -62.490443
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -154.369633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.369633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.369633 (E_RNA)
where:
Base-Base interactions energy: -95.467
where: short stacking energy: -51.030
Base-Backbone interact. energy: -0.029
local terms energy: -58.873707
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -10.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -116.171506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.171506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.171506 (E_RNA)
where:
Base-Base interactions energy: -51.435
where: short stacking energy: -48.977
Base-Backbone interact. energy: -0.094
local terms energy: -64.642637
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -11.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -93.311228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.311228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.311228 (E_RNA)
where:
Base-Base interactions energy: -33.818
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.057
local terms energy: -59.436188
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.030
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: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -80.644290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.644290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.644290 (E_RNA)
where:
Base-Base interactions energy: -32.208
where: short stacking energy: -27.546
Base-Backbone interact. energy: -0.146
local terms energy: -48.290503
where:
bonds (distance) C4'-P energy: -6.241
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -85.420022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.420022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.420022 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.098
local terms energy: -51.552165
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -6.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -73.743499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.743499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.743499 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -24.037
Base-Backbone interact. energy: -0.511
local terms energy: -45.512007
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -3.690
tors. eta vs tors. theta energy: -0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -225.170337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.170337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.170337 (E_RNA)
where:
Base-Base interactions energy: -145.643
where: short stacking energy: -78.455
Base-Backbone interact. energy: -0.001
local terms energy: -79.526003
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -21.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -218.144650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.144650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.144650 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -68.973
Base-Backbone interact. energy: -0.053
local terms energy: -83.835266
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -14.788
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -214.644203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.644203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.644203 (E_RNA)
where:
Base-Base interactions energy: -143.289
where: short stacking energy: -69.857
Base-Backbone interact. energy: 0.842
local terms energy: -72.197106
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -170.512970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.512970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.512970 (E_RNA)
where:
Base-Base interactions energy: -100.952
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.112
local terms energy: -69.448841
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -174.374694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.374694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.374694 (E_RNA)
where:
Base-Base interactions energy: -107.665
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.198
local terms energy: -66.512032
where:
bonds (distance) C4'-P energy: -8.754
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -98.863069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.863069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.863069 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -30.903
Base-Backbone interact. energy: -1.215
local terms energy: -53.434960
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -10.477
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -82.006063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006063 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.194
local terms energy: -49.639345
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -4.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -94.306438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.306438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.306438 (E_RNA)
where:
Base-Base interactions energy: -48.139
where: short stacking energy: -23.912
Base-Backbone interact. energy: -0.427
local terms energy: -45.740258
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -6.604
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -80.242292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.242292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.242292 (E_RNA)
where:
Base-Base interactions energy: -35.680
where: short stacking energy: -35.263
Base-Backbone interact. energy: 0.618
local terms energy: -45.180986
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -0.587
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: 10, replica: 3
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -77.297624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.297624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.297624 (E_RNA)
where:
Base-Base interactions energy: -28.236
where: short stacking energy: -21.284
Base-Backbone interact. energy: -0.151
local terms energy: -48.910682
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: 0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -214.053999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.053999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.053999 (E_RNA)
where:
Base-Base interactions energy: -131.560
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.536
local terms energy: -81.958552
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -17.676
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: 72
Temperature: 0.950000
Total energy: -214.045077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.045077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.045077 (E_RNA)
where:
Base-Base interactions energy: -135.405
where: short stacking energy: -68.653
Base-Backbone interact. energy: -0.017
local terms energy: -78.622927
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -214.376249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.376249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.376249 (E_RNA)
where:
Base-Base interactions energy: -136.893
where: short stacking energy: -71.468
Base-Backbone interact. energy: -0.038
local terms energy: -77.445002
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -185.745560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.745560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.745560 (E_RNA)
where:
Base-Base interactions energy: -110.095
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.426
local terms energy: -75.223748
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -136.304643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.304643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.304643 (E_RNA)
where:
Base-Base interactions energy: -79.665
where: short stacking energy: -34.535
Base-Backbone interact. energy: -0.372
local terms energy: -56.267332
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -11.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -102.293155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.293155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.293155 (E_RNA)
where:
Base-Base interactions energy: -41.263
where: short stacking energy: -40.415
Base-Backbone interact. energy: 1.054
local terms energy: -62.083915
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -8.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -104.016705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.016705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.016705 (E_RNA)
where:
Base-Base interactions energy: -48.682
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.010
local terms energy: -55.324942
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.608
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -96.051834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051834 (E_RNA)
where:
Base-Base interactions energy: -43.796
where: short stacking energy: -38.620
Base-Backbone interact. energy: 1.420
local terms energy: -53.675634
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -8.196
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -79.779466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.779466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.779466 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -27.648
Base-Backbone interact. energy: -0.236
local terms energy: -51.894802
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -0.817
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: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -79.225559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.225559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.225559 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -23.035
Base-Backbone interact. energy: -0.547
local terms energy: -45.737120
where:
bonds (distance) C4'-P energy: -7.657
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -203.087961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.087961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.087961 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -69.764
Base-Backbone interact. energy: -0.001
local terms energy: -72.141551
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -220.293801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.293801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.293801 (E_RNA)
where:
Base-Base interactions energy: -145.647
where: short stacking energy: -74.821
Base-Backbone interact. energy: 0.248
local terms energy: -74.895106
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -209.964565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.964565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.964565 (E_RNA)
where:
Base-Base interactions energy: -137.763
where: short stacking energy: -65.884
Base-Backbone interact. energy: 0.099
local terms energy: -72.301094
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -142.490390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.490390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.490390 (E_RNA)
where:
Base-Base interactions energy: -82.837
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.131
local terms energy: -59.522375
where:
bonds (distance) C4'-P energy: -10.053
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -6.389
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: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -157.803019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.803019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.803019 (E_RNA)
where:
Base-Base interactions energy: -88.921
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.003
local terms energy: -68.879038
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -14.291
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: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -110.834513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.834513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.834513 (E_RNA)
where:
Base-Base interactions energy: -42.365
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.039
local terms energy: -68.429866
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -12.117
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: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -91.112680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.112680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.112680 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -30.928
Base-Backbone interact. energy: -0.574
local terms energy: -51.187152
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -83.364066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.364066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.364066 (E_RNA)
where:
Base-Base interactions energy: -28.372
where: short stacking energy: -25.622
Base-Backbone interact. energy: -0.099
local terms energy: -54.893250
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: 0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -78.750428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750428 (E_RNA)
where:
Base-Base interactions energy: -28.038
where: short stacking energy: -28.034
Base-Backbone interact. energy: 1.281
local terms energy: -51.994181
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -88.088727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.088727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.088727 (E_RNA)
where:
Base-Base interactions energy: -29.599
where: short stacking energy: -29.599
Base-Backbone interact. energy: -0.121
local terms energy: -58.368480
where:
bonds (distance) C4'-P energy: -9.925
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -7.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -218.778849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.778849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.778849 (E_RNA)
where:
Base-Base interactions energy: -137.135
where: short stacking energy: -71.611
Base-Backbone interact. energy: -0.051
local terms energy: -81.592571
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -12.347
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -211.081302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.081302 (E_RNA)
where:
Base-Base interactions energy: -132.044
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.292
local terms energy: -78.745394
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -17.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -208.734462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.734462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.734462 (E_RNA)
where:
Base-Base interactions energy: -136.796
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.049
local terms energy: -71.889009
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -127.840864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.840864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.840864 (E_RNA)
where:
Base-Base interactions energy: -73.586
where: short stacking energy: -37.399
Base-Backbone interact. energy: -0.664
local terms energy: -53.591544
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -166.702745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.702745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.702745 (E_RNA)
where:
Base-Base interactions energy: -101.462
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.069
local terms energy: -65.171216
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -16.123
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -95.345760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.345760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.345760 (E_RNA)
where:
Base-Base interactions energy: -45.928
where: short stacking energy: -34.770
Base-Backbone interact. energy: -0.038
local terms energy: -49.379350
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -94.205724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.205724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.205724 (E_RNA)
where:
Base-Base interactions energy: -37.233
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.022
local terms energy: -56.950801
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -7.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -87.428875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.428875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.428875 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -24.326
Base-Backbone interact. energy: -0.005
local terms energy: -52.004144
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -75.735736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.735736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.735736 (E_RNA)
where:
Base-Base interactions energy: -31.777
where: short stacking energy: -30.943
Base-Backbone interact. energy: -0.363
local terms energy: -43.596089
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -4.622
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: 10, replica: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -75.927485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.927485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.927485 (E_RNA)
where:
Base-Base interactions energy: -25.921
where: short stacking energy: -10.635
Base-Backbone interact. energy: -0.258
local terms energy: -49.748336
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: 3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -217.229870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.229870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.229870 (E_RNA)
where:
Base-Base interactions energy: -139.094
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.036
local terms energy: -78.099375
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -11.339
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: 2, replica: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -211.896015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.896015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.896015 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.434
local terms energy: -78.021575
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -18.134
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: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -208.604585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.604585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.604585 (E_RNA)
where:
Base-Base interactions energy: -134.558
where: short stacking energy: -71.457
Base-Backbone interact. energy: -0.010
local terms energy: -74.036998
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -151.032564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.032564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.032564 (E_RNA)
where:
Base-Base interactions energy: -87.316
where: short stacking energy: -40.538
Base-Backbone interact. energy: 0.538
local terms energy: -64.254702
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -132.046220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.046220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.046220 (E_RNA)
where:
Base-Base interactions energy: -68.889
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.088
local terms energy: -63.069976
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -8.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -96.590935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.590935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.590935 (E_RNA)
where:
Base-Base interactions energy: -42.146
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.082
local terms energy: -54.362603
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -98.355863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.355863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.355863 (E_RNA)
where:
Base-Base interactions energy: -47.495
where: short stacking energy: -34.699
Base-Backbone interact. energy: -0.142
local terms energy: -50.719147
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -7.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -86.327591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.327591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.327591 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -34.066
Base-Backbone interact. energy: -0.097
local terms energy: -45.730222
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -119.702914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.702914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.702914 (E_RNA)
where:
Base-Base interactions energy: -76.189
where: short stacking energy: -39.948
Base-Backbone interact. energy: -0.014
local terms energy: -43.499793
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -6.437
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -83.287809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287809 (E_RNA)
where:
Base-Base interactions energy: -35.404
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.163
local terms energy: -47.720250
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -226.578279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.578279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.578279 (E_RNA)
where:
Base-Base interactions energy: -145.419
where: short stacking energy: -75.707
Base-Backbone interact. energy: -0.610
local terms energy: -80.548842
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -13.564
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: 2, replica: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -216.809856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.809856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.809856 (E_RNA)
where:
Base-Base interactions energy: -142.703
where: short stacking energy: -65.653
Base-Backbone interact. energy: -0.032
local terms energy: -74.074784
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -20.181
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: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -203.023765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.023765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.023765 (E_RNA)
where:
Base-Base interactions energy: -125.608
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.158
local terms energy: -77.257857
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -21.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -183.108034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.108034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.108034 (E_RNA)
where:
Base-Base interactions energy: -111.497
where: short stacking energy: -64.194
Base-Backbone interact. energy: 0.729
local terms energy: -72.339301
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -17.506
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: 76
Temperature: 1.100000
Total energy: -149.916577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.916577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.916577 (E_RNA)
where:
Base-Base interactions energy: -83.992
where: short stacking energy: -52.801
Base-Backbone interact. energy: 0.609
local terms energy: -66.533691
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -107.709613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.709613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.709613 (E_RNA)
where:
Base-Base interactions energy: -40.223
where: short stacking energy: -40.104
Base-Backbone interact. energy: -0.268
local terms energy: -67.218987
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -11.654
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -89.280579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.280579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.280579 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -22.267
Base-Backbone interact. energy: -0.129
local terms energy: -54.184310
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -84.258257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258257 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.600
local terms energy: -53.972832
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -80.889169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.889169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.889169 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -26.731
Base-Backbone interact. energy: 0.693
local terms energy: -54.693404
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -71.578889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.578889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.578889 (E_RNA)
where:
Base-Base interactions energy: -30.690
where: short stacking energy: -19.013
Base-Backbone interact. energy: -0.167
local terms energy: -40.722101
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -9.057
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: 1, replica: 8
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -226.445603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.445603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.445603 (E_RNA)
where:
Base-Base interactions energy: -146.925
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.650
local terms energy: -78.870877
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -219.436629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.436629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.436629 (E_RNA)
where:
Base-Base interactions energy: -138.078
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.004
local terms energy: -81.354402
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -208.841298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.841298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.841298 (E_RNA)
where:
Base-Base interactions energy: -131.703
where: short stacking energy: -66.893
Base-Backbone interact. energy: -0.011
local terms energy: -77.127651
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -171.610041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.610041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.610041 (E_RNA)
where:
Base-Base interactions energy: -101.906
where: short stacking energy: -55.512
Base-Backbone interact. energy: -0.017
local terms energy: -69.686921
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -131.876552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.876552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.876552 (E_RNA)
where:
Base-Base interactions energy: -71.266
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.063
local terms energy: -60.546727
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -105.984041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.984041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.984041 (E_RNA)
where:
Base-Base interactions energy: -42.791
where: short stacking energy: -42.791
Base-Backbone interact. energy: -0.022
local terms energy: -63.170752
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -85.462732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.462732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.462732 (E_RNA)
where:
Base-Base interactions energy: -35.697
where: short stacking energy: -28.594
Base-Backbone interact. energy: -0.444
local terms energy: -49.321736
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -6.881
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: 8, replica: 2
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -89.662566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.662566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.662566 (E_RNA)
where:
Base-Base interactions energy: -39.686
where: short stacking energy: -39.886
Base-Backbone interact. energy: -0.378
local terms energy: -49.597653
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -86.129913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.129913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.129913 (E_RNA)
where:
Base-Base interactions energy: -29.038
where: short stacking energy: -29.038
Base-Backbone interact. energy: -0.082
local terms energy: -57.010530
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -8.123
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -78.442407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.442407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.442407 (E_RNA)
where:
Base-Base interactions energy: -31.981
where: short stacking energy: -22.871
Base-Backbone interact. energy: -0.118
local terms energy: -46.343763
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -6.487
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: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -220.747477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.747477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.747477 (E_RNA)
where:
Base-Base interactions energy: -140.914
where: short stacking energy: -68.322
Base-Backbone interact. energy: -0.026
local terms energy: -79.808248
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -21.760
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -219.784309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.784309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.784309 (E_RNA)
where:
Base-Base interactions energy: -143.707
where: short stacking energy: -70.691
Base-Backbone interact. energy: 1.526
local terms energy: -77.602700
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -209.571139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571139 (E_RNA)
where:
Base-Base interactions energy: -134.128
where: short stacking energy: -69.072
Base-Backbone interact. energy: -0.002
local terms energy: -75.440215
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -179.864326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.864326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.864326 (E_RNA)
where:
Base-Base interactions energy: -107.092
where: short stacking energy: -67.022
Base-Backbone interact. energy: -0.001
local terms energy: -72.770482
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -108.326437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.326437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.326437 (E_RNA)
where:
Base-Base interactions energy: -53.362
where: short stacking energy: -25.628
Base-Backbone interact. energy: -0.322
local terms energy: -54.641925
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -88.539099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.539099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.539099 (E_RNA)
where:
Base-Base interactions energy: -38.129
where: short stacking energy: -18.162
Base-Backbone interact. energy: -0.118
local terms energy: -50.291936
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -82.786219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.786219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.786219 (E_RNA)
where:
Base-Base interactions energy: -26.717
where: short stacking energy: -26.717
Base-Backbone interact. energy: -0.239
local terms energy: -55.830647
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -74.100475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.100475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.100475 (E_RNA)
where:
Base-Base interactions energy: -22.875
where: short stacking energy: -22.875
Base-Backbone interact. energy: -0.113
local terms energy: -51.113213
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -96.131653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.131653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.131653 (E_RNA)
where:
Base-Base interactions energy: -46.662
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.213
local terms energy: -49.256730
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -5.419
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -73.602711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.602711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.602711 (E_RNA)
where:
Base-Base interactions energy: -23.221
where: short stacking energy: -23.221
Base-Backbone interact. energy: 1.666
local terms energy: -52.048427
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -10.847
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: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -223.236296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.236296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.236296 (E_RNA)
where:
Base-Base interactions energy: -145.184
where: short stacking energy: -74.115
Base-Backbone interact. energy: -0.008
local terms energy: -78.044178
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -22.269
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -223.814633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.814633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.814633 (E_RNA)
where:
Base-Base interactions energy: -144.886
where: short stacking energy: -76.654
Base-Backbone interact. energy: -0.038
local terms energy: -78.889878
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -23.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -203.690188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.690188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.690188 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -66.247
Base-Backbone interact. energy: -0.035
local terms energy: -73.743727
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -169.748579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.748579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.748579 (E_RNA)
where:
Base-Base interactions energy: -95.097
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.003
local terms energy: -74.648382
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -102.798965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.798965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.798965 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -39.504
Base-Backbone interact. energy: -0.191
local terms energy: -52.784924
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -101.212495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.212495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.212495 (E_RNA)
where:
Base-Base interactions energy: -44.926
where: short stacking energy: -32.072
Base-Backbone interact. energy: -0.038
local terms energy: -56.247727
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -92.992586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.992586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.992586 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -34.737
Base-Backbone interact. energy: -0.340
local terms energy: -57.914708
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -100.609573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.609573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.609573 (E_RNA)
where:
Base-Base interactions energy: -41.256
where: short stacking energy: -36.809
Base-Backbone interact. energy: -0.101
local terms energy: -59.252291
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -85.825080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.825080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.825080 (E_RNA)
where:
Base-Base interactions energy: -24.165
where: short stacking energy: -24.165
Base-Backbone interact. energy: -0.109
local terms energy: -61.551399
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -10.178
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: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -86.128949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.128949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.128949 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -14.406
Base-Backbone interact. energy: -0.895
local terms energy: -48.586272
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -0.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -218.330017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330017 (E_RNA)
where:
Base-Base interactions energy: -137.458
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.020
local terms energy: -80.851266
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -21.842
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: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -215.730213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.730213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.730213 (E_RNA)
where:
Base-Base interactions energy: -136.278
where: short stacking energy: -71.082
Base-Backbone interact. energy: -0.477
local terms energy: -78.974619
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -23.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -190.284738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.284738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.284738 (E_RNA)
where:
Base-Base interactions energy: -123.411
where: short stacking energy: -62.363
Base-Backbone interact. energy: -1.499
local terms energy: -65.375179
where:
bonds (distance) C4'-P energy: -9.397
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -161.413009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.413009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.413009 (E_RNA)
where:
Base-Base interactions energy: -100.438
where: short stacking energy: -52.895
Base-Backbone interact. energy: -0.035
local terms energy: -60.939942
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -99.889989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.889989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.889989 (E_RNA)
where:
Base-Base interactions energy: -46.184
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.111
local terms energy: -53.595837
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -104.920063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.920063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.920063 (E_RNA)
where:
Base-Base interactions energy: -48.156
where: short stacking energy: -27.291
Base-Backbone interact. energy: -0.833
local terms energy: -55.931840
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.686
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -102.965594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.965594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.965594 (E_RNA)
where:
Base-Base interactions energy: -54.270
where: short stacking energy: -42.056
Base-Backbone interact. energy: -0.869
local terms energy: -47.826231
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -2.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -88.660384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.660384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.660384 (E_RNA)
where:
Base-Base interactions energy: -37.494
where: short stacking energy: -26.009
Base-Backbone interact. energy: -0.040
local terms energy: -51.125836
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -6.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -79.366656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.366656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.366656 (E_RNA)
where:
Base-Base interactions energy: -32.957
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.344
local terms energy: -46.065405
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -6.487
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -80.179437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.179437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.179437 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -24.949
Base-Backbone interact. energy: -1.075
local terms energy: -54.155289
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -11.520
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: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -223.101839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.101839 (E_RNA)
where:
Base-Base interactions energy: -141.716
where: short stacking energy: -69.986
Base-Backbone interact. energy: -0.049
local terms energy: -81.336431
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -210.606720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.606720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.606720 (E_RNA)
where:
Base-Base interactions energy: -129.968
where: short stacking energy: -64.810
Base-Backbone interact. energy: 0.486
local terms energy: -81.125206
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -201.158298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.158298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.158298 (E_RNA)
where:
Base-Base interactions energy: -132.747
where: short stacking energy: -69.501
Base-Backbone interact. energy: -0.008
local terms energy: -68.403805
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -21.252
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: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -157.404259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.404259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.404259 (E_RNA)
where:
Base-Base interactions energy: -92.427
where: short stacking energy: -57.218
Base-Backbone interact. energy: -0.024
local terms energy: -64.953624
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -86.488501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.488501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.488501 (E_RNA)
where:
Base-Base interactions energy: -36.291
where: short stacking energy: -23.153
Base-Backbone interact. energy: 0.981
local terms energy: -51.178468
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -79.737372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.737372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.737372 (E_RNA)
where:
Base-Base interactions energy: -28.815
where: short stacking energy: -23.484
Base-Backbone interact. energy: -0.368
local terms energy: -50.554086
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -104.816114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.816114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.816114 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -36.638
Base-Backbone interact. energy: -0.250
local terms energy: -58.117475
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -8.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -91.869395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.869395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.869395 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.019
local terms energy: -57.233636
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.867
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: 2
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -92.430851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430851 (E_RNA)
where:
Base-Base interactions energy: -44.673
where: short stacking energy: -28.905
Base-Backbone interact. energy: 0.552
local terms energy: -48.309499
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -71.741396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.741396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.741396 (E_RNA)
where:
Base-Base interactions energy: -26.941
where: short stacking energy: -23.559
Base-Backbone interact. energy: -0.159
local terms energy: -44.641712
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -215.253366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.253366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.253366 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -65.393
Base-Backbone interact. energy: -0.629
local terms energy: -82.848171
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -13.657
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: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -214.761592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761592 (E_RNA)
where:
Base-Base interactions energy: -134.433
where: short stacking energy: -65.268
Base-Backbone interact. energy: -0.013
local terms energy: -80.315267
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -18.674
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: 82
Temperature: 1.000000
Total energy: -199.481594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.481594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.481594 (E_RNA)
where:
Base-Base interactions energy: -126.196
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.014
local terms energy: -73.271409
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -17.427
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -158.751570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.751570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.751570 (E_RNA)
where:
Base-Base interactions energy: -98.360
where: short stacking energy: -55.145
Base-Backbone interact. energy: -0.145
local terms energy: -60.246794
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -8.499
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.385
tors. eta vs tors. theta energy: -13.318
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: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -105.977779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.977779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.977779 (E_RNA)
where:
Base-Base interactions energy: -49.552
where: short stacking energy: -38.652
Base-Backbone interact. energy: -0.048
local terms energy: -56.377592
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -100.865839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865839 (E_RNA)
where:
Base-Base interactions energy: -41.830
where: short stacking energy: -36.561
Base-Backbone interact. energy: -0.005
local terms energy: -59.030836
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -98.508638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.508638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.508638 (E_RNA)
where:
Base-Base interactions energy: -52.402
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.072
local terms energy: -46.034899
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: 0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -85.284383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.284383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.284383 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -37.312
Base-Backbone interact. energy: -0.138
local terms energy: -47.385806
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -9.504
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -84.643185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643185 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -24.789
Base-Backbone interact. energy: -0.098
local terms energy: -53.111328
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -70.575708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.575708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.575708 (E_RNA)
where:
Base-Base interactions energy: -24.221
where: short stacking energy: -14.655
Base-Backbone interact. energy: -0.155
local terms energy: -46.199683
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -221.479816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479816 (E_RNA)
where:
Base-Base interactions energy: -136.151
where: short stacking energy: -67.691
Base-Backbone interact. energy: -0.068
local terms energy: -85.260773
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -20.676
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: 83
Temperature: 0.950000
Total energy: -200.573986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.573986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.573986 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -64.741
Base-Backbone interact. energy: 0.140
local terms energy: -73.287235
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -208.210174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.210174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.210174 (E_RNA)
where:
Base-Base interactions energy: -129.571
where: short stacking energy: -64.340
Base-Backbone interact. energy: -0.012
local terms energy: -78.627083
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -164.080674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.080674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.080674 (E_RNA)
where:
Base-Base interactions energy: -93.235
where: short stacking energy: -50.024
Base-Backbone interact. energy: -0.028
local terms energy: -70.817711
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -16.004
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: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -99.203032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.203032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.203032 (E_RNA)
where:
Base-Base interactions energy: -42.150
where: short stacking energy: -41.267
Base-Backbone interact. energy: -0.201
local terms energy: -56.852029
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -10.939
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -101.362099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.362099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.362099 (E_RNA)
where:
Base-Base interactions energy: -44.711
where: short stacking energy: -29.654
Base-Backbone interact. energy: -0.190
local terms energy: -56.461049
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -98.517231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.517231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.517231 (E_RNA)
where:
Base-Base interactions energy: -36.271
where: short stacking energy: -35.346
Base-Backbone interact. energy: 0.935
local terms energy: -63.181240
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -82.558031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.558031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.558031 (E_RNA)
where:
Base-Base interactions energy: -32.701
where: short stacking energy: -32.701
Base-Backbone interact. energy: -0.130
local terms energy: -49.726129
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -8.293
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -97.922567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.922567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.922567 (E_RNA)
where:
Base-Base interactions energy: -35.427
where: short stacking energy: -30.031
Base-Backbone interact. energy: -0.212
local terms energy: -62.283921
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -68.929077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.929077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.929077 (E_RNA)
where:
Base-Base interactions energy: -25.884
where: short stacking energy: -23.244
Base-Backbone interact. energy: -0.222
local terms energy: -42.823083
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -213.142704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.142704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.142704 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.003
local terms energy: -73.991106
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -211.225724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.225724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.225724 (E_RNA)
where:
Base-Base interactions energy: -137.136
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.024
local terms energy: -74.066663
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -21.065
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: 3, replica: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -212.313535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.313535 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -72.123
Base-Backbone interact. energy: 0.657
local terms energy: -81.885210
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -167.419936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.419936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.419936 (E_RNA)
where:
Base-Base interactions energy: -101.184
where: short stacking energy: -53.567
Base-Backbone interact. energy: 0.965
local terms energy: -67.201345
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -90.856268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.856268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.856268 (E_RNA)
where:
Base-Base interactions energy: -33.053
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.375
local terms energy: -57.428364
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -9.778
flat angles P-C4'-P energy: -9.985
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: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -102.607878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.607878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.607878 (E_RNA)
where:
Base-Base interactions energy: -55.743
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.108
local terms energy: -46.757064
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.614
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: 7, replica: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -92.198650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198650 (E_RNA)
where:
Base-Base interactions energy: -39.973
where: short stacking energy: -28.809
Base-Backbone interact. energy: -0.009
local terms energy: -52.217073
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -92.175391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.175391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.175391 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.010
local terms energy: -54.218115
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -8.538
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: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -77.205804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.205804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.205804 (E_RNA)
where:
Base-Base interactions energy: -25.694
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.357
local terms energy: -51.154791
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -81.632546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.632546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.632546 (E_RNA)
where:
Base-Base interactions energy: -31.640
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.075
local terms energy: -49.917409
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -217.573313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.573313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.573313 (E_RNA)
where:
Base-Base interactions energy: -141.510
where: short stacking energy: -66.374
Base-Backbone interact. energy: -0.290
local terms energy: -75.773606
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -223.310492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.310492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310492 (E_RNA)
where:
Base-Base interactions energy: -145.922
where: short stacking energy: -73.204
Base-Backbone interact. energy: -0.025
local terms energy: -77.363190
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -22.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -218.114156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114156 (E_RNA)
where:
Base-Base interactions energy: -142.924
where: short stacking energy: -72.042
Base-Backbone interact. energy: -0.014
local terms energy: -75.176259
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -167.423957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.423957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.423957 (E_RNA)
where:
Base-Base interactions energy: -98.165
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.225
local terms energy: -69.033120
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -16.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -104.611055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.611055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.611055 (E_RNA)
where:
Base-Base interactions energy: -50.132
where: short stacking energy: -35.901
Base-Backbone interact. energy: 1.657
local terms energy: -56.135676
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -84.554355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.554355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.554355 (E_RNA)
where:
Base-Base interactions energy: -36.918
where: short stacking energy: -24.011
Base-Backbone interact. energy: -0.465
local terms energy: -47.171924
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: 3.896
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: 1
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -86.935596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.935596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.935596 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -26.295
Base-Backbone interact. energy: -0.383
local terms energy: -55.510977
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -4.510
tors. eta vs tors. theta energy: -6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -98.240003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.240003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.240003 (E_RNA)
where:
Base-Base interactions energy: -54.087
where: short stacking energy: -36.271
Base-Backbone interact. energy: -0.181
local terms energy: -43.972193
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -6.692
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -6.259
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: 9, replica: 10
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -79.742584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.742584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.742584 (E_RNA)
where:
Base-Base interactions energy: -25.426
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.239
local terms energy: -54.077499
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -8.389
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: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -73.958554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.958554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.958554 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -27.304
Base-Backbone interact. energy: 0.506
local terms energy: -43.693401
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -220.278542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.278542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.278542 (E_RNA)
where:
Base-Base interactions energy: -144.927
where: short stacking energy: -66.797
Base-Backbone interact. energy: -0.003
local terms energy: -75.347745
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -11.068
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -216.786337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.786337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.786337 (E_RNA)
where:
Base-Base interactions energy: -139.936
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.492
local terms energy: -76.358369
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -212.028518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.028518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.028518 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.090
local terms energy: -79.565886
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -21.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -170.052201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.052201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.052201 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.062
local terms energy: -70.775536
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -103.598802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.598802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.598802 (E_RNA)
where:
Base-Base interactions energy: -36.315
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.961
local terms energy: -66.322455
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -86.787333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.787333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.787333 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.112
local terms energy: -50.590032
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -3.511
tors. eta vs tors. theta energy: -4.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -86.575536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.575536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.575536 (E_RNA)
where:
Base-Base interactions energy: -31.445
where: short stacking energy: -31.388
Base-Backbone interact. energy: -0.163
local terms energy: -54.967240
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.013
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: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -90.605529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.605529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.605529 (E_RNA)
where:
Base-Base interactions energy: -39.669
where: short stacking energy: -29.962
Base-Backbone interact. energy: -0.104
local terms energy: -50.833156
where:
bonds (distance) C4'-P energy: -4.250
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -90.485477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485477 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -31.417
Base-Backbone interact. energy: -0.602
local terms energy: -54.940067
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -9.516
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -90.040731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.040731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.040731 (E_RNA)
where:
Base-Base interactions energy: -33.677
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.246
local terms energy: -56.117997
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -5.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -220.122667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.122667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.122667 (E_RNA)
where:
Base-Base interactions energy: -143.780
where: short stacking energy: -69.623
Base-Backbone interact. energy: -0.511
local terms energy: -75.830808
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -221.082151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082151 (E_RNA)
where:
Base-Base interactions energy: -142.903
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.020
local terms energy: -78.159429
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -21.597
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: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -214.792321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.792321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.792321 (E_RNA)
where:
Base-Base interactions energy: -133.714
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.133
local terms energy: -80.945583
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -23.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -171.767032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.767032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.767032 (E_RNA)
where:
Base-Base interactions energy: -105.159
where: short stacking energy: -59.816
Base-Backbone interact. energy: -0.093
local terms energy: -66.514885
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -110.259045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.259045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.259045 (E_RNA)
where:
Base-Base interactions energy: -48.488
where: short stacking energy: -48.488
Base-Backbone interact. energy: -0.121
local terms energy: -61.649762
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -13.013
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: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -95.633337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.633337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.633337 (E_RNA)
where:
Base-Base interactions energy: -44.931
where: short stacking energy: -43.365
Base-Backbone interact. energy: -0.343
local terms energy: -50.358927
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -9.336
flat angles P-C4'-P energy: -3.714
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -105.190867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.190867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.190867 (E_RNA)
where:
Base-Base interactions energy: -43.181
where: short stacking energy: -34.616
Base-Backbone interact. energy: -0.092
local terms energy: -61.917672
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -7.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -86.114556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.114556 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -15.174
Base-Backbone interact. energy: -0.269
local terms energy: -56.462320
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -87.860426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.860426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.860426 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -30.492
Base-Backbone interact. energy: -0.156
local terms energy: -53.804419
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -74.668640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.668640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.668640 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.213
local terms energy: -44.664215
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -9.772
flat angles P-C4'-P energy: -7.130
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: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -219.832615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.832615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.832615 (E_RNA)
where:
Base-Base interactions energy: -143.409
where: short stacking energy: -70.880
Base-Backbone interact. energy: -0.029
local terms energy: -76.394958
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -18.147
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: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -217.989066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.989066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.989066 (E_RNA)
where:
Base-Base interactions energy: -147.056
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.114
local terms energy: -70.819594
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -208.495378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495378 (E_RNA)
where:
Base-Base interactions energy: -135.715
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.339
local terms energy: -72.441051
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -169.097409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.097409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.097409 (E_RNA)
where:
Base-Base interactions energy: -97.228
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.030
local terms energy: -71.839040
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -112.011166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.011166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.011166 (E_RNA)
where:
Base-Base interactions energy: -59.057
where: short stacking energy: -36.704
Base-Backbone interact. energy: -1.066
local terms energy: -51.888310
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -3.574
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: 3
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -100.365500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.365500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.365500 (E_RNA)
where:
Base-Base interactions energy: -44.507
where: short stacking energy: -44.507
Base-Backbone interact. energy: -0.031
local terms energy: -55.826868
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.369
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: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -120.245617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.245617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.245617 (E_RNA)
where:
Base-Base interactions energy: -66.744
where: short stacking energy: -34.721
Base-Backbone interact. energy: -0.098
local terms energy: -53.403666
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -5.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -87.641571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.641571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.641571 (E_RNA)
where:
Base-Base interactions energy: -24.080
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.395
local terms energy: -63.165882
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -85.374044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.374044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.374044 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.153
local terms energy: -55.153768
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -77.437748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.437748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.437748 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -26.389
Base-Backbone interact. energy: -0.104
local terms energy: -48.818402
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -3.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -219.014430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.014430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.014430 (E_RNA)
where:
Base-Base interactions energy: -145.040
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.005
local terms energy: -73.968816
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.141
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: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -202.722521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.722521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.722521 (E_RNA)
where:
Base-Base interactions energy: -130.403
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.021
local terms energy: -72.298653
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -18.791
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: 9
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -213.534500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.534500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534500 (E_RNA)
where:
Base-Base interactions energy: -132.697
where: short stacking energy: -70.587
Base-Backbone interact. energy: -0.083
local terms energy: -80.754693
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -7.118
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: 4
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -138.866277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.866277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.866277 (E_RNA)
where:
Base-Base interactions energy: -87.890
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.148
local terms energy: -50.827943
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -155.374842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.374842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.374842 (E_RNA)
where:
Base-Base interactions energy: -88.704
where: short stacking energy: -44.571
Base-Backbone interact. energy: -0.598
local terms energy: -66.072572
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -153.516257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.516257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.516257 (E_RNA)
where:
Base-Base interactions energy: -90.362
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.240
local terms energy: -62.914601
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -83.480272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.480272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.480272 (E_RNA)
where:
Base-Base interactions energy: -41.267
where: short stacking energy: -26.924
Base-Backbone interact. energy: -0.213
local terms energy: -41.999963
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -6.208
flat angles P-C4'-P energy: -5.007
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -91.312856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.312856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.312856 (E_RNA)
where:
Base-Base interactions energy: -32.619
where: short stacking energy: -23.292
Base-Backbone interact. energy: -0.195
local terms energy: -58.498892
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -2.689
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: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -75.901158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901158 (E_RNA)
where:
Base-Base interactions energy: -27.211
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.177
local terms energy: -48.512991
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -6.584
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -78.618840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.618840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.618840 (E_RNA)
where:
Base-Base interactions energy: -23.554
where: short stacking energy: -22.664
Base-Backbone interact. energy: -0.065
local terms energy: -54.999761
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -216.769965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.769965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.769965 (E_RNA)
where:
Base-Base interactions energy: -138.573
where: short stacking energy: -70.810
Base-Backbone interact. energy: -0.040
local terms energy: -78.156562
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -212.995043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.995043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.995043 (E_RNA)
where:
Base-Base interactions energy: -131.688
where: short stacking energy: -75.221
Base-Backbone interact. energy: -0.011
local terms energy: -81.296015
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -21.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -217.335927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.335927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.335927 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.088
local terms energy: -78.422133
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -110.596371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.596371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.596371 (E_RNA)
where:
Base-Base interactions energy: -48.985
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.271
local terms energy: -61.340500
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -146.702091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.702091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.702091 (E_RNA)
where:
Base-Base interactions energy: -91.634
where: short stacking energy: -46.322
Base-Backbone interact. energy: -0.212
local terms energy: -54.856222
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -136.426552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.426552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.426552 (E_RNA)
where:
Base-Base interactions energy: -81.120
where: short stacking energy: -34.683
Base-Backbone interact. energy: -0.146
local terms energy: -55.161077
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -95.369876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.369876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.369876 (E_RNA)
where:
Base-Base interactions energy: -54.772
where: short stacking energy: -30.765
Base-Backbone interact. energy: -0.118
local terms energy: -40.480242
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: 2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -85.022022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.022022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.022022 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -32.103
Base-Backbone interact. energy: -0.259
local terms energy: -52.547018
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -77.285339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285339 (E_RNA)
where:
Base-Base interactions energy: -30.536
where: short stacking energy: -30.536
Base-Backbone interact. energy: -0.156
local terms energy: -46.593340
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.400
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: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -81.929027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.929027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.929027 (E_RNA)
where:
Base-Base interactions energy: -35.443
where: short stacking energy: -23.080
Base-Backbone interact. energy: -1.553
local terms energy: -44.933547
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -4.191
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -217.240411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.240411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240411 (E_RNA)
where:
Base-Base interactions energy: -139.439
where: short stacking energy: -63.737
Base-Backbone interact. energy: 0.704
local terms energy: -78.505322
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -17.465
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: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -217.238626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.238626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.238626 (E_RNA)
where:
Base-Base interactions energy: -130.791
where: short stacking energy: -69.855
Base-Backbone interact. energy: -0.041
local terms energy: -86.406750
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -209.654836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.654836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654836 (E_RNA)
where:
Base-Base interactions energy: -136.047
where: short stacking energy: -67.357
Base-Backbone interact. energy: -0.212
local terms energy: -73.395748
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -159.253752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.253752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.253752 (E_RNA)
where:
Base-Base interactions energy: -99.153
where: short stacking energy: -56.793
Base-Backbone interact. energy: 0.062
local terms energy: -60.162656
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -99.392467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.392467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.392467 (E_RNA)
where:
Base-Base interactions energy: -49.648
where: short stacking energy: -19.642
Base-Backbone interact. energy: 0.533
local terms energy: -50.276498
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -95.286113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.286113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.286113 (E_RNA)
where:
Base-Base interactions energy: -39.148
where: short stacking energy: -38.525
Base-Backbone interact. energy: -0.094
local terms energy: -56.044534
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -6.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -122.008907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.008907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.008907 (E_RNA)
where:
Base-Base interactions energy: -62.880
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.205
local terms energy: -58.923635
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -7.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -86.563147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.563147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.563147 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.134
local terms energy: -58.420511
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -80.329154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.329154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.329154 (E_RNA)
where:
Base-Base interactions energy: -26.107
where: short stacking energy: -26.107
Base-Backbone interact. energy: -0.034
local terms energy: -54.188601
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -5.618
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: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -72.485101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.485101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.485101 (E_RNA)
where:
Base-Base interactions energy: -25.706
where: short stacking energy: -22.351
Base-Backbone interact. energy: 0.549
local terms energy: -47.328235
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -0.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -218.130964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.130964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.130964 (E_RNA)
where:
Base-Base interactions energy: -138.900
where: short stacking energy: -68.095
Base-Backbone interact. energy: -0.037
local terms energy: -79.194629
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -215.786347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.786347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.786347 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.434
local terms energy: -76.576437
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -13.270
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: 3, replica: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -207.819954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.819954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.819954 (E_RNA)
where:
Base-Base interactions energy: -129.898
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.233
local terms energy: -77.689049
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -13.515
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: 92
Temperature: 1.050000
Total energy: -195.921725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.921725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.921725 (E_RNA)
where:
Base-Base interactions energy: -117.237
where: short stacking energy: -52.737
Base-Backbone interact. energy: -2.229
local terms energy: -76.455550
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -115.974714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.974714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.974714 (E_RNA)
where:
Base-Base interactions energy: -62.082
where: short stacking energy: -31.712
Base-Backbone interact. energy: -0.421
local terms energy: -53.472191
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -2.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -94.233294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.233294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.233294 (E_RNA)
where:
Base-Base interactions energy: -35.383
where: short stacking energy: -35.057
Base-Backbone interact. energy: -0.158
local terms energy: -58.692204
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -6.533
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: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -78.926650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.926650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.926650 (E_RNA)
where:
Base-Base interactions energy: -32.988
where: short stacking energy: -27.027
Base-Backbone interact. energy: 1.111
local terms energy: -47.049462
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: 0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -90.923074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.923074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.923074 (E_RNA)
where:
Base-Base interactions energy: -43.582
where: short stacking energy: -29.860
Base-Backbone interact. energy: 0.506
local terms energy: -47.846659
where:
bonds (distance) C4'-P energy: -11.738
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -80.900660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.900660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.900660 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -29.358
Base-Backbone interact. energy: 0.762
local terms energy: -49.215544
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.974138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.974138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.974138 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -32.207
Base-Backbone interact. energy: 0.124
local terms energy: -47.631080
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -218.564476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.564476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.564476 (E_RNA)
where:
Base-Base interactions energy: -141.229
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.622
local terms energy: -76.714021
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.347
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -21.561
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: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -216.973875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973875 (E_RNA)
where:
Base-Base interactions energy: -147.435
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.039
local terms energy: -69.500269
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -204.247222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.247222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247222 (E_RNA)
where:
Base-Base interactions energy: -133.063
where: short stacking energy: -65.567
Base-Backbone interact. energy: -0.227
local terms energy: -70.958072
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -17.819
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: 93
Temperature: 1.050000
Total energy: -208.917416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.917416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.917416 (E_RNA)
where:
Base-Base interactions energy: -132.182
where: short stacking energy: -71.054
Base-Backbone interact. energy: -0.561
local terms energy: -76.175145
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.230
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: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -115.725610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.725610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.725610 (E_RNA)
where:
Base-Base interactions energy: -52.064
where: short stacking energy: -43.774
Base-Backbone interact. energy: -0.002
local terms energy: -63.659574
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -10.697
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -101.461783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.461783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.461783 (E_RNA)
where:
Base-Base interactions energy: -34.952
where: short stacking energy: -30.386
Base-Backbone interact. energy: -0.328
local terms energy: -66.181259
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -9.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -81.214959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214959 (E_RNA)
where:
Base-Base interactions energy: -34.174
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.217
local terms energy: -46.824482
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: 0.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -86.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.509659 (E_RNA)
where:
Base-Base interactions energy: -42.929
where: short stacking energy: -32.822
Base-Backbone interact. energy: -0.193
local terms energy: -43.387736
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -2.773
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -88.317523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.317523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.317523 (E_RNA)
where:
Base-Base interactions energy: -36.886
where: short stacking energy: -34.983
Base-Backbone interact. energy: -0.106
local terms energy: -51.324845
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -79.917855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.917855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.917855 (E_RNA)
where:
Base-Base interactions energy: -29.035
where: short stacking energy: -29.035
Base-Backbone interact. energy: -0.001
local terms energy: -50.881409
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -224.929883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.929883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.929883 (E_RNA)
where:
Base-Base interactions energy: -148.395
where: short stacking energy: -76.208
Base-Backbone interact. energy: -0.029
local terms energy: -76.506447
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -221.148877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.148877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.148877 (E_RNA)
where:
Base-Base interactions energy: -142.199
where: short stacking energy: -67.952
Base-Backbone interact. energy: -0.008
local terms energy: -78.941711
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -213.318124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.318124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.318124 (E_RNA)
where:
Base-Base interactions energy: -132.979
where: short stacking energy: -71.196
Base-Backbone interact. energy: -0.019
local terms energy: -80.319604
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -206.895990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.895990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.895990 (E_RNA)
where:
Base-Base interactions energy: -134.719
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.165
local terms energy: -72.011633
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -123.046239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.046239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.046239 (E_RNA)
where:
Base-Base interactions energy: -70.575
where: short stacking energy: -37.218
Base-Backbone interact. energy: -0.144
local terms energy: -52.326805
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -6.595
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: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -106.263323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.263323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.263323 (E_RNA)
where:
Base-Base interactions energy: -48.857
where: short stacking energy: -25.175
Base-Backbone interact. energy: -0.820
local terms energy: -56.585814
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -2.760
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: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -91.222059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.222059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.222059 (E_RNA)
where:
Base-Base interactions energy: -35.696
where: short stacking energy: -35.696
Base-Backbone interact. energy: -0.019
local terms energy: -55.507486
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -77.545436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.545436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.545436 (E_RNA)
where:
Base-Base interactions energy: -38.892
where: short stacking energy: -37.583
Base-Backbone interact. energy: -0.242
local terms energy: -38.411670
where:
bonds (distance) C4'-P energy: -6.753
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -8.333
flat angles P-C4'-P energy: -4.434
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: 9, replica: 7
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -86.069371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.069371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.069371 (E_RNA)
where:
Base-Base interactions energy: -31.193
where: short stacking energy: -31.193
Base-Backbone interact. energy: -0.113
local terms energy: -54.763707
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -81.357591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.357591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.357591 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -23.922
Base-Backbone interact. energy: -0.446
local terms energy: -34.492369
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -2.090
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -221.369897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.369897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.369897 (E_RNA)
where:
Base-Base interactions energy: -145.073
where: short stacking energy: -74.155
Base-Backbone interact. energy: 0.812
local terms energy: -77.108615
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -223.005263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.005263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.005263 (E_RNA)
where:
Base-Base interactions energy: -147.224
where: short stacking energy: -78.668
Base-Backbone interact. energy: -0.151
local terms energy: -75.630074
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -21.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -211.191597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.191597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.191597 (E_RNA)
where:
Base-Base interactions energy: -137.077
where: short stacking energy: -68.950
Base-Backbone interact. energy: 0.713
local terms energy: -74.827384
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.429
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -19.392
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: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -199.640336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640336 (E_RNA)
where:
Base-Base interactions energy: -127.832
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.040
local terms energy: -71.767887
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -17.995
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: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -113.832602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.832602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.832602 (E_RNA)
where:
Base-Base interactions energy: -54.236
where: short stacking energy: -40.883
Base-Backbone interact. energy: -0.064
local terms energy: -59.533117
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -114.222466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.222466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.222466 (E_RNA)
where:
Base-Base interactions energy: -57.052
where: short stacking energy: -41.973
Base-Backbone interact. energy: -0.758
local terms energy: -56.412574
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -104.750991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.750991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.750991 (E_RNA)
where:
Base-Base interactions energy: -51.653
where: short stacking energy: -44.386
Base-Backbone interact. energy: 0.722
local terms energy: -53.820289
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -11.228
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: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -85.859776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.859776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.859776 (E_RNA)
where:
Base-Base interactions energy: -38.371
where: short stacking energy: -29.435
Base-Backbone interact. energy: -0.176
local terms energy: -47.312240
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -1.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -87.200545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.200545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.200545 (E_RNA)
where:
Base-Base interactions energy: -45.869
where: short stacking energy: -35.343
Base-Backbone interact. energy: 1.636
local terms energy: -42.967687
where:
bonds (distance) C4'-P energy: -4.046
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -78.975557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.975557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.975557 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -24.049
Base-Backbone interact. energy: -0.300
local terms energy: -42.769997
where:
bonds (distance) C4'-P energy: -9.678
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -4.848
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: 1, replica: 5
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -222.661563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.661563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.661563 (E_RNA)
where:
Base-Base interactions energy: -138.537
where: short stacking energy: -72.695
Base-Backbone interact. energy: -0.033
local terms energy: -84.091768
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -214.440775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440775 (E_RNA)
where:
Base-Base interactions energy: -138.504
where: short stacking energy: -68.057
Base-Backbone interact. energy: -0.106
local terms energy: -75.830523
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -18.430
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: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -210.420497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.420497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.420497 (E_RNA)
where:
Base-Base interactions energy: -132.439
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.995
local terms energy: -76.986202
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -198.979537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.979537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.979537 (E_RNA)
where:
Base-Base interactions energy: -126.188
where: short stacking energy: -64.181
Base-Backbone interact. energy: -0.942
local terms energy: -71.848807
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -17.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -131.194894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.194894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.194894 (E_RNA)
where:
Base-Base interactions energy: -74.871
where: short stacking energy: -39.826
Base-Backbone interact. energy: -0.241
local terms energy: -56.082449
where:
bonds (distance) C4'-P energy: -6.878
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -101.609637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.609637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.609637 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.162
local terms energy: -60.555058
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -8.521
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -75.751891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.751891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.751891 (E_RNA)
where:
Base-Base interactions energy: -28.247
where: short stacking energy: -23.131
Base-Backbone interact. energy: -0.152
local terms energy: -47.352760
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -10.973
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -79.690735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.690735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.690735 (E_RNA)
where:
Base-Base interactions energy: -25.094
where: short stacking energy: -26.194
Base-Backbone interact. energy: -0.212
local terms energy: -54.384397
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -78.006026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.006026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.006026 (E_RNA)
where:
Base-Base interactions energy: -28.935
where: short stacking energy: -24.005
Base-Backbone interact. energy: -0.111
local terms energy: -48.959641
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: 2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -78.079739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.079739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.079739 (E_RNA)
where:
Base-Base interactions energy: -33.369
where: short stacking energy: -19.140
Base-Backbone interact. energy: -0.231
local terms energy: -44.479425
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -10.011
flat angles P-C4'-P energy: -10.100
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: 1, replica: 5
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -224.766509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.766509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766509 (E_RNA)
where:
Base-Base interactions energy: -135.395
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.648
local terms energy: -88.722599
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -217.952305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.952305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.952305 (E_RNA)
where:
Base-Base interactions energy: -137.157
where: short stacking energy: -71.098
Base-Backbone interact. energy: -0.012
local terms energy: -80.783006
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -22.696
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: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -212.549295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.549295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.549295 (E_RNA)
where:
Base-Base interactions energy: -135.058
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.148
local terms energy: -77.343406
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.750
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: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -201.296926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.296926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.296926 (E_RNA)
where:
Base-Base interactions energy: -134.627
where: short stacking energy: -66.925
Base-Backbone interact. energy: -0.021
local terms energy: -66.649079
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -126.624579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.624579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.624579 (E_RNA)
where:
Base-Base interactions energy: -68.515
where: short stacking energy: -41.992
Base-Backbone interact. energy: -0.733
local terms energy: -57.376806
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -7.293
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: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -88.743602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.743602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.743602 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -35.806
Base-Backbone interact. energy: -0.169
local terms energy: -52.769330
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -9.232
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -91.486886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.486886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.486886 (E_RNA)
where:
Base-Base interactions energy: -38.011
where: short stacking energy: -26.424
Base-Backbone interact. energy: 0.874
local terms energy: -54.349397
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -82.200481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.200481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.200481 (E_RNA)
where:
Base-Base interactions energy: -32.326
where: short stacking energy: -21.048
Base-Backbone interact. energy: -0.105
local terms energy: -49.769905
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -81.398751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.398751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.398751 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -25.507
Base-Backbone interact. energy: -0.298
local terms energy: -40.675029
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: 1.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -82.108736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.108736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.108736 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -17.310
Base-Backbone interact. energy: -0.320
local terms energy: -54.145332
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: 1.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -218.149865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.149865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.149865 (E_RNA)
where:
Base-Base interactions energy: -138.448
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.438
local terms energy: -79.263344
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -20.232
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -222.086351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.086351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.086351 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -74.793
Base-Backbone interact. energy: -0.334
local terms energy: -80.194543
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -21.383
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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -214.485548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.485548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.485548 (E_RNA)
where:
Base-Base interactions energy: -134.099
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.037
local terms energy: -80.349056
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -220.293291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.293291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.293291 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.543
local terms energy: -82.626704
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -23.921
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: 5, replica: 7
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -112.301386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.301386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.301386 (E_RNA)
where:
Base-Base interactions energy: -57.191
where: short stacking energy: -26.020
Base-Backbone interact. energy: -0.703
local terms energy: -54.407043
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -130.520497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.520497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.520497 (E_RNA)
where:
Base-Base interactions energy: -73.313
where: short stacking energy: -40.838
Base-Backbone interact. energy: -0.230
local terms energy: -56.977467
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -6.312
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: 98
Temperature: 1.200000
Total energy: -110.514764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.514764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.514764 (E_RNA)
where:
Base-Base interactions energy: -53.433
where: short stacking energy: -37.250
Base-Backbone interact. energy: -0.160
local terms energy: -56.921706
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -11.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -87.129838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.129838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.129838 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -22.137
Base-Backbone interact. energy: -0.101
local terms energy: -50.542863
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -78.789571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.789571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.789571 (E_RNA)
where:
Base-Base interactions energy: -28.761
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.743
local terms energy: -49.285356
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -72.498281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.498281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.498281 (E_RNA)
where:
Base-Base interactions energy: -21.118
where: short stacking energy: -21.118
Base-Backbone interact. energy: -0.011
local terms energy: -51.368661
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -5.398
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: 1, replica: 8
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -219.555760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.555760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.555760 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -70.687
Base-Backbone interact. energy: -0.037
local terms energy: -77.884481
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -220.477230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.477230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.477230 (E_RNA)
where:
Base-Base interactions energy: -139.423
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.057
local terms energy: -80.996405
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -22.167
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: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -218.976234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976234 (E_RNA)
where:
Base-Base interactions energy: -140.369
where: short stacking energy: -75.783
Base-Backbone interact. energy: -0.039
local terms energy: -78.568572
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -206.231404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.231404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.231404 (E_RNA)
where:
Base-Base interactions energy: -138.296
where: short stacking energy: -69.041
Base-Backbone interact. energy: 0.719
local terms energy: -68.654659
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -118.371103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.371103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.371103 (E_RNA)
where:
Base-Base interactions energy: -59.115
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.027
local terms energy: -59.229700
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -124.988868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.988868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.988868 (E_RNA)
where:
Base-Base interactions energy: -66.481
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.173
local terms energy: -58.335475
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.952
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: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -94.530970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.530970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.530970 (E_RNA)
where:
Base-Base interactions energy: -40.868
where: short stacking energy: -25.815
Base-Backbone interact. energy: -0.310
local terms energy: -53.352972
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -11.938
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -78.439242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.439242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.439242 (E_RNA)
where:
Base-Base interactions energy: -32.657
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.677
local terms energy: -45.105342
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -88.021818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.021818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.021818 (E_RNA)
where:
Base-Base interactions energy: -42.627
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.162
local terms energy: -45.232120
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -2.536
tors. eta vs tors. theta energy: -4.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -76.967074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.967074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.967074 (E_RNA)
where:
Base-Base interactions energy: -25.763
where: short stacking energy: -14.454
Base-Backbone interact. energy: -0.602
local terms energy: -50.602709
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: 5.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -214.490027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.490027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.490027 (E_RNA)
where:
Base-Base interactions energy: -136.033
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.018
local terms energy: -78.439111
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -20.547
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: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -227.744899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.744899 (E_RNA)
where:
Base-Base interactions energy: -147.170
where: short stacking energy: -66.279
Base-Backbone interact. energy: -0.754
local terms energy: -79.820784
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -213.269685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.269685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.269685 (E_RNA)
where:
Base-Base interactions energy: -139.190
where: short stacking energy: -68.087
Base-Backbone interact. energy: 1.509
local terms energy: -75.589140
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -196.194962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.194962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.194962 (E_RNA)
where:
Base-Base interactions energy: -125.519
where: short stacking energy: -64.836
Base-Backbone interact. energy: -0.047
local terms energy: -70.629103
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.732
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: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -117.982445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.982445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.982445 (E_RNA)
where:
Base-Base interactions energy: -61.575
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.104
local terms energy: -56.303328
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -6.057
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: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -166.371809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.371809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.371809 (E_RNA)
where:
Base-Base interactions energy: -106.962
where: short stacking energy: -51.688
Base-Backbone interact. energy: -0.133
local terms energy: -59.276444
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -10.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -90.652978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.652978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.652978 (E_RNA)
where:
Base-Base interactions energy: -38.682
where: short stacking energy: -27.131
Base-Backbone interact. energy: 1.987
local terms energy: -53.958085
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -3.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -82.386840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386840 (E_RNA)
where:
Base-Base interactions energy: -29.581
where: short stacking energy: -30.781
Base-Backbone interact. energy: -0.197
local terms energy: -52.608993
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -92.720302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720302 (E_RNA)
where:
Base-Base interactions energy: -34.836
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.169
local terms energy: -57.714922
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.987
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -70.572920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.572920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.572920 (E_RNA)
where:
Base-Base interactions energy: -25.467
where: short stacking energy: -20.658
Base-Backbone interact. energy: 0.815
local terms energy: -45.920220
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -2.760
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -212.038402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.038402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.038402 (E_RNA)
where:
Base-Base interactions energy: -132.203
where: short stacking energy: -63.591
Base-Backbone interact. energy: -0.023
local terms energy: -79.812538
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -16.288
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: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -214.857169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.857169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.857169 (E_RNA)
where:
Base-Base interactions energy: -137.263
where: short stacking energy: -74.620
Base-Backbone interact. energy: -0.383
local terms energy: -77.210434
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -210.481638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.481638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.481638 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.128
local terms energy: -72.305430
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -208.778276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.778276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.778276 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -62.996
Base-Backbone interact. energy: -0.065
local terms energy: -76.791099
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -104.183490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.183490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.183490 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.151
local terms energy: -65.208846
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -178.094172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.094172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.094172 (E_RNA)
where:
Base-Base interactions energy: -116.387
where: short stacking energy: -52.395
Base-Backbone interact. energy: -0.145
local terms energy: -61.561926
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -88.327731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.327731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.327731 (E_RNA)
where:
Base-Base interactions energy: -34.347
where: short stacking energy: -26.504
Base-Backbone interact. energy: -0.086
local terms energy: -53.895098
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -0.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -89.388777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.388777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.388777 (E_RNA)
where:
Base-Base interactions energy: -35.162
where: short stacking energy: -30.448
Base-Backbone interact. energy: -0.095
local terms energy: -54.132093
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -8.419
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -78.567204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.567204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.567204 (E_RNA)
where:
Base-Base interactions energy: -18.827
where: short stacking energy: -18.827
Base-Backbone interact. energy: -0.136
local terms energy: -59.604900
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -73.425683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.425683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.425683 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -27.523
Base-Backbone interact. energy: 0.286
local terms energy: -43.570641
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -3.764
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: 9
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -219.700991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.700991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.700991 (E_RNA)
where:
Base-Base interactions energy: -148.047
where: short stacking energy: -76.615
Base-Backbone interact. energy: -0.046
local terms energy: -71.608422
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -213.558782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.558782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558782 (E_RNA)
where:
Base-Base interactions energy: -136.590
where: short stacking energy: -70.085
Base-Backbone interact. energy: -0.010
local terms energy: -76.958631
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -20.569
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: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -215.497308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.497308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.497308 (E_RNA)
where:
Base-Base interactions energy: -145.375
where: short stacking energy: -69.693
Base-Backbone interact. energy: -0.467
local terms energy: -69.654826
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -20.908
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: 102
Temperature: 1.050000
Total energy: -204.558700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.558700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.558700 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.029
local terms energy: -67.131169
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -15.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -171.310252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.310252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.310252 (E_RNA)
where:
Base-Base interactions energy: -96.489
where: short stacking energy: -47.269
Base-Backbone interact. energy: -1.183
local terms energy: -73.638709
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.361
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: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -99.815955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.815955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.815955 (E_RNA)
where:
Base-Base interactions energy: -40.358
where: short stacking energy: -33.414
Base-Backbone interact. energy: 1.493
local terms energy: -60.951445
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -7.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -89.252375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.252375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.252375 (E_RNA)
where:
Base-Base interactions energy: -37.876
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.165
local terms energy: -51.210554
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -93.264856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.264856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.264856 (E_RNA)
where:
Base-Base interactions energy: -50.848
where: short stacking energy: -20.804
Base-Backbone interact. energy: -1.259
local terms energy: -41.158518
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -81.560933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.560933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.560933 (E_RNA)
where:
Base-Base interactions energy: -26.818
where: short stacking energy: -21.620
Base-Backbone interact. energy: -0.315
local terms energy: -54.428121
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -74.661994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.661994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.661994 (E_RNA)
where:
Base-Base interactions energy: -23.344
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.663
local terms energy: -50.655688
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -8.620
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: 9
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -217.426261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.426261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.426261 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -72.297
Base-Backbone interact. energy: -0.010
local terms energy: -75.372664
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -211.138286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.138286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.138286 (E_RNA)
where:
Base-Base interactions energy: -140.984
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.047
local terms energy: -70.107015
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -201.064204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.064204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.064204 (E_RNA)
where:
Base-Base interactions energy: -129.621
where: short stacking energy: -57.158
Base-Backbone interact. energy: -0.127
local terms energy: -71.316513
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -193.448934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.448934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.448934 (E_RNA)
where:
Base-Base interactions energy: -122.682
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.035
local terms energy: -70.731121
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -163.399861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.399861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.399861 (E_RNA)
where:
Base-Base interactions energy: -95.982
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.016
local terms energy: -67.402693
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -90.178471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178471 (E_RNA)
where:
Base-Base interactions energy: -39.055
where: short stacking energy: -25.721
Base-Backbone interact. energy: -0.125
local terms energy: -50.999191
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -4.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -87.220346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.220346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.220346 (E_RNA)
where:
Base-Base interactions energy: -37.058
where: short stacking energy: -28.620
Base-Backbone interact. energy: -0.644
local terms energy: -49.518808
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -3.080
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -91.848620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.848620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.848620 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -27.383
Base-Backbone interact. energy: -0.304
local terms energy: -61.656802
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -100.649932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.649932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.649932 (E_RNA)
where:
Base-Base interactions energy: -59.640
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.154
local terms energy: -40.856345
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -77.787882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787882 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -21.489
Base-Backbone interact. energy: -0.542
local terms energy: -41.507401
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -1.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -217.707783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.707783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.707783 (E_RNA)
where:
Base-Base interactions energy: -141.537
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.034
local terms energy: -76.136621
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -12.414
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: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -216.515520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.515520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.515520 (E_RNA)
where:
Base-Base interactions energy: -139.011
where: short stacking energy: -77.226
Base-Backbone interact. energy: -0.760
local terms energy: -76.744531
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -206.899818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.899818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.899818 (E_RNA)
where:
Base-Base interactions energy: -139.532
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.158
local terms energy: -67.210000
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -9.914
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -19.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -191.778705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.778705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.778705 (E_RNA)
where:
Base-Base interactions energy: -126.046
where: short stacking energy: -66.688
Base-Backbone interact. energy: -0.035
local terms energy: -65.697525
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.363
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: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -182.416704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.416704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.416704 (E_RNA)
where:
Base-Base interactions energy: -117.807
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.189
local terms energy: -64.420909
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -5.688
tors. eta vs tors. theta energy: -14.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -103.641109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.641109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.641109 (E_RNA)
where:
Base-Base interactions energy: -46.385
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.008
local terms energy: -57.247927
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -14.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -84.714469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.714469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.714469 (E_RNA)
where:
Base-Base interactions energy: -40.565
where: short stacking energy: -20.677
Base-Backbone interact. energy: -0.197
local terms energy: -43.952298
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -88.620098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.620098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.620098 (E_RNA)
where:
Base-Base interactions energy: -40.525
where: short stacking energy: -34.474
Base-Backbone interact. energy: 1.518
local terms energy: -49.612952
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -9.972
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -95.035078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.035078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.035078 (E_RNA)
where:
Base-Base interactions energy: -48.877
where: short stacking energy: -26.692
Base-Backbone interact. energy: -0.631
local terms energy: -45.527578
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -82.253457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.253457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.253457 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -24.588
Base-Backbone interact. energy: -0.056
local terms energy: -44.644941
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -0.015
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: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -221.914724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914724 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.020
local terms energy: -80.368102
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -23.180
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: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -213.868656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.868656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.868656 (E_RNA)
where:
Base-Base interactions energy: -139.163
where: short stacking energy: -65.762
Base-Backbone interact. energy: -0.017
local terms energy: -74.688638
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -214.231190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.231190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.231190 (E_RNA)
where:
Base-Base interactions energy: -142.638
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.004
local terms energy: -71.588620
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -15.159
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: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -197.004124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.004124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.004124 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -61.838
Base-Backbone interact. energy: -0.355
local terms energy: -71.439051
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -158.184787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.184787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.184787 (E_RNA)
where:
Base-Base interactions energy: -93.527
where: short stacking energy: -48.625
Base-Backbone interact. energy: -0.436
local terms energy: -64.222151
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -10.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -137.819563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.819563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.819563 (E_RNA)
where:
Base-Base interactions energy: -80.656
where: short stacking energy: -46.063
Base-Backbone interact. energy: 0.629
local terms energy: -57.792489
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -88.161111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.161111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.161111 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -31.327
Base-Backbone interact. energy: -0.070
local terms energy: -45.579691
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -90.952291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.952291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.952291 (E_RNA)
where:
Base-Base interactions energy: -41.836
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.266
local terms energy: -48.850750
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -6.714
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: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -77.505705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.505705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.505705 (E_RNA)
where:
Base-Base interactions energy: -30.656
where: short stacking energy: -26.262
Base-Backbone interact. energy: -0.377
local terms energy: -46.473000
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -73.071873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.071873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.071873 (E_RNA)
where:
Base-Base interactions energy: -20.141
where: short stacking energy: -20.141
Base-Backbone interact. energy: -0.102
local terms energy: -52.828281
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -6.734
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -215.322833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.322833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.322833 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -65.774
Base-Backbone interact. energy: -0.508
local terms energy: -72.572225
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -16.604
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: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -214.163541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.163541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.163541 (E_RNA)
where:
Base-Base interactions energy: -139.527
where: short stacking energy: -69.054
Base-Backbone interact. energy: -0.007
local terms energy: -74.629057
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -198.778677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.778677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.778677 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -55.829
Base-Backbone interact. energy: -0.003
local terms energy: -71.502933
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -14.223
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -196.380871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.380871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.380871 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.950
local terms energy: -63.173288
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -147.984137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.984137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.984137 (E_RNA)
where:
Base-Base interactions energy: -81.148
where: short stacking energy: -39.779
Base-Backbone interact. energy: -0.116
local terms energy: -66.720827
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -11.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -145.538207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.538207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.538207 (E_RNA)
where:
Base-Base interactions energy: -77.791
where: short stacking energy: -46.742
Base-Backbone interact. energy: -0.305
local terms energy: -67.442022
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -79.753752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.753752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.753752 (E_RNA)
where:
Base-Base interactions energy: -31.285
where: short stacking energy: -22.685
Base-Backbone interact. energy: -0.794
local terms energy: -47.674838
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -4.304
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -91.690878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.690878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.690878 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.102
local terms energy: -46.670779
where:
bonds (distance) C4'-P energy: -4.752
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -83.343037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.343037 (E_RNA)
where:
Base-Base interactions energy: -31.879
where: short stacking energy: -34.335
Base-Backbone interact. energy: -0.003
local terms energy: -51.461984
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -131.673556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.673556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.673556 (E_RNA)
where:
Base-Base interactions energy: -80.422
where: short stacking energy: -37.150
Base-Backbone interact. energy: -0.113
local terms energy: -51.137885
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -215.080511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.080511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.080511 (E_RNA)
where:
Base-Base interactions energy: -138.900
where: short stacking energy: -74.009
Base-Backbone interact. energy: -0.011
local terms energy: -76.168728
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -214.144522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.144522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.144522 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -67.184
Base-Backbone interact. energy: -0.186
local terms energy: -79.697936
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -13.802
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -193.537652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.537652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.537652 (E_RNA)
where:
Base-Base interactions energy: -129.781
where: short stacking energy: -54.031
Base-Backbone interact. energy: -0.083
local terms energy: -63.673756
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -9.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -210.756449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.756449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.756449 (E_RNA)
where:
Base-Base interactions energy: -138.441
where: short stacking energy: -69.333
Base-Backbone interact. energy: -0.010
local terms energy: -72.305688
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -8.992
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: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -151.179825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.179825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.179825 (E_RNA)
where:
Base-Base interactions energy: -92.437
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.025
local terms energy: -58.717452
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -10.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -178.430380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430380 (E_RNA)
where:
Base-Base interactions energy: -115.450
where: short stacking energy: -53.813
Base-Backbone interact. energy: -0.065
local terms energy: -62.915627
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -101.264325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.264325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.264325 (E_RNA)
where:
Base-Base interactions energy: -42.023
where: short stacking energy: -34.043
Base-Backbone interact. energy: -0.080
local terms energy: -59.161084
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -17.866
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -85.779727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.779727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.779727 (E_RNA)
where:
Base-Base interactions energy: -37.133
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.049
local terms energy: -48.597942
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -80.956179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.956179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.956179 (E_RNA)
where:
Base-Base interactions energy: -30.392
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.101
local terms energy: -50.463353
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -122.915653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.915653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.915653 (E_RNA)
where:
Base-Base interactions energy: -74.682
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.068
local terms energy: -48.165662
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -8.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -223.071722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.071722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.071722 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -65.611
Base-Backbone interact. energy: -1.091
local terms energy: -85.264118
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -23.278
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: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -192.209634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.209634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.209634 (E_RNA)
where:
Base-Base interactions energy: -121.500
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.050
local terms energy: -70.659922
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -196.572486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.572486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.572486 (E_RNA)
where:
Base-Base interactions energy: -130.044
where: short stacking energy: -62.409
Base-Backbone interact. energy: -0.036
local terms energy: -66.492767
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -207.252482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252482 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.383
local terms energy: -68.141282
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -14.515
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -188.663407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.663407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.663407 (E_RNA)
where:
Base-Base interactions energy: -120.621
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.100
local terms energy: -67.942439
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -172.566038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.566038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.566038 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -47.619
Base-Backbone interact. energy: -0.076
local terms energy: -59.495464
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -9.958
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: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -87.782007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.782007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.782007 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.174
local terms energy: -56.214210
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -2.361
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: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -78.127750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.127750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.127750 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -25.963
Base-Backbone interact. energy: -0.364
local terms energy: -38.429807
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: 3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -88.218065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.218065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.218065 (E_RNA)
where:
Base-Base interactions energy: -50.434
where: short stacking energy: -14.697
Base-Backbone interact. energy: -0.618
local terms energy: -37.166053
where:
bonds (distance) C4'-P energy: -6.410
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -6.387
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: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -85.225955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.225955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.225955 (E_RNA)
where:
Base-Base interactions energy: -28.515
where: short stacking energy: -28.515
Base-Backbone interact. energy: -0.009
local terms energy: -56.702658
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -222.003005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.003005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.003005 (E_RNA)
where:
Base-Base interactions energy: -139.374
where: short stacking energy: -71.019
Base-Backbone interact. energy: -0.032
local terms energy: -82.597266
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -23.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -208.046299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.046299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046299 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.001
local terms energy: -78.069448
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -205.249216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.249216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.249216 (E_RNA)
where:
Base-Base interactions energy: -127.615
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.012
local terms energy: -77.621306
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -20.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -183.347511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.347511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.347511 (E_RNA)
where:
Base-Base interactions energy: -120.690
where: short stacking energy: -49.972
Base-Backbone interact. energy: -1.176
local terms energy: -61.480960
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -206.923220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.923220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.923220 (E_RNA)
where:
Base-Base interactions energy: -132.504
where: short stacking energy: -60.604
Base-Backbone interact. energy: 0.163
local terms energy: -74.582088
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -156.437025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.437025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.437025 (E_RNA)
where:
Base-Base interactions energy: -86.021
where: short stacking energy: -42.056
Base-Backbone interact. energy: -0.004
local terms energy: -70.411704
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -97.179886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.179886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.179886 (E_RNA)
where:
Base-Base interactions energy: -51.207
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.109
local terms energy: -45.864008
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -4.197
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: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -86.976463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.976463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.976463 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.118
local terms energy: -55.315200
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -4.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -78.048236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.048236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.048236 (E_RNA)
where:
Base-Base interactions energy: -28.739
where: short stacking energy: -26.642
Base-Backbone interact. energy: -0.129
local terms energy: -49.180115
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -75.750398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.750398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.750398 (E_RNA)
where:
Base-Base interactions energy: -24.102
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.061
local terms energy: -51.587700
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -216.780110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.780110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.780110 (E_RNA)
where:
Base-Base interactions energy: -141.483
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.493
local terms energy: -74.803751
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -216.244447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244447 (E_RNA)
where:
Base-Base interactions energy: -143.730
where: short stacking energy: -73.514
Base-Backbone interact. energy: -0.013
local terms energy: -72.501168
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -211.358291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.358291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.358291 (E_RNA)
where:
Base-Base interactions energy: -131.903
where: short stacking energy: -65.406
Base-Backbone interact. energy: -0.145
local terms energy: -79.309678
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.969
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -189.020582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.020582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.020582 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.658
local terms energy: -70.966906
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -148.338913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.338913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.338913 (E_RNA)
where:
Base-Base interactions energy: -81.295
where: short stacking energy: -53.152
Base-Backbone interact. energy: -0.085
local terms energy: -66.958910
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -188.540857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.540857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.540857 (E_RNA)
where:
Base-Base interactions energy: -112.767
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.002
local terms energy: -75.771154
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -92.659935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.659935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.659935 (E_RNA)
where:
Base-Base interactions energy: -35.594
where: short stacking energy: -35.594
Base-Backbone interact. energy: -0.171
local terms energy: -56.894743
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -3.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -86.387273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.387273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.387273 (E_RNA)
where:
Base-Base interactions energy: -30.008
where: short stacking energy: -28.094
Base-Backbone interact. energy: -0.157
local terms energy: -56.222257
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -6.995
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: 9, replica: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -88.996535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.996535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.996535 (E_RNA)
where:
Base-Base interactions energy: -32.781
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.109
local terms energy: -56.106626
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -87.878208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.878208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.878208 (E_RNA)
where:
Base-Base interactions energy: -31.519
where: short stacking energy: -27.356
Base-Backbone interact. energy: -0.080
local terms energy: -56.278277
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -211.807704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.807704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.807704 (E_RNA)
where:
Base-Base interactions energy: -139.150
where: short stacking energy: -66.687
Base-Backbone interact. energy: -0.006
local terms energy: -72.652255
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -209.072440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.072440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.072440 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.703
local terms energy: -72.638908
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -219.240112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.240112 (E_RNA)
where:
Base-Base interactions energy: -142.847
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.346
local terms energy: -76.047383
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -190.203300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.203300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.203300 (E_RNA)
where:
Base-Base interactions energy: -120.279
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.039
local terms energy: -69.885649
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -171.846542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.846542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.846542 (E_RNA)
where:
Base-Base interactions energy: -100.162
where: short stacking energy: -57.280
Base-Backbone interact. energy: -0.202
local terms energy: -71.482289
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -16.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -192.863698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.863698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.863698 (E_RNA)
where:
Base-Base interactions energy: -125.304
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.008
local terms energy: -67.551864
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -84.717671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.717671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.717671 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -28.242
Base-Backbone interact. energy: -0.114
local terms energy: -43.675847
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -12.047
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: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -85.602681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.602681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.602681 (E_RNA)
where:
Base-Base interactions energy: -35.718
where: short stacking energy: -32.050
Base-Backbone interact. energy: 1.608
local terms energy: -51.492177
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -88.127375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.127375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.127375 (E_RNA)
where:
Base-Base interactions energy: -32.455
where: short stacking energy: -32.455
Base-Backbone interact. energy: -0.103
local terms energy: -55.569473
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -87.042818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042818 (E_RNA)
where:
Base-Base interactions energy: -33.430
where: short stacking energy: -29.360
Base-Backbone interact. energy: -0.013
local terms energy: -53.599866
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -216.749115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749115 (E_RNA)
where:
Base-Base interactions energy: -136.738
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.126
local terms energy: -79.884146
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -212.459224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.459224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.459224 (E_RNA)
where:
Base-Base interactions energy: -140.370
where: short stacking energy: -64.427
Base-Backbone interact. energy: -0.393
local terms energy: -71.695575
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -193.396231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.396231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.396231 (E_RNA)
where:
Base-Base interactions energy: -125.559
where: short stacking energy: -54.014
Base-Backbone interact. energy: -0.265
local terms energy: -67.571649
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -220.474568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.474568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.474568 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -69.993
Base-Backbone interact. energy: 0.085
local terms energy: -79.737992
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -192.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.243881 (E_RNA)
where:
Base-Base interactions energy: -123.751
where: short stacking energy: -58.269
Base-Backbone interact. energy: -0.032
local terms energy: -68.461744
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.935
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: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -154.497600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.497600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.497600 (E_RNA)
where:
Base-Base interactions energy: -90.500
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.066
local terms energy: -63.931315
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.321
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: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -91.997884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.997884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.997884 (E_RNA)
where:
Base-Base interactions energy: -42.320
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.396
local terms energy: -49.282522
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -1.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -74.934722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.934722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.934722 (E_RNA)
where:
Base-Base interactions energy: -28.006
where: short stacking energy: -24.287
Base-Backbone interact. energy: -0.416
local terms energy: -46.512365
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -2.911
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -68.702280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.702280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.702280 (E_RNA)
where:
Base-Base interactions energy: -28.881
where: short stacking energy: -28.881
Base-Backbone interact. energy: 0.172
local terms energy: -39.993297
where:
bonds (distance) C4'-P energy: -6.319
bonds (distance) P-C4' energy: -11.481
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -79.670651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.670651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.670651 (E_RNA)
where:
Base-Base interactions energy: -26.769
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.134
local terms energy: -52.767270
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -7.712
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -213.565855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.565855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.565855 (E_RNA)
where:
Base-Base interactions energy: -137.426
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.323
local terms energy: -75.817108
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -216.534122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.534122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.534122 (E_RNA)
where:
Base-Base interactions energy: -136.335
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.089
local terms energy: -80.110742
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -198.800174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.800174 (E_RNA)
where:
Base-Base interactions energy: -132.034
where: short stacking energy: -53.450
Base-Backbone interact. energy: -0.003
local terms energy: -66.763194
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -182.424928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.424928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.424928 (E_RNA)
where:
Base-Base interactions energy: -116.299
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.056
local terms energy: -66.070089
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -191.234383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.234383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.234383 (E_RNA)
where:
Base-Base interactions energy: -129.927
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.140
local terms energy: -61.167767
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -154.662318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.662318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.662318 (E_RNA)
where:
Base-Base interactions energy: -90.295
where: short stacking energy: -48.891
Base-Backbone interact. energy: -0.030
local terms energy: -64.337468
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -13.126
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: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -98.197186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.197186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.197186 (E_RNA)
where:
Base-Base interactions energy: -49.365
where: short stacking energy: -35.809
Base-Backbone interact. energy: 0.027
local terms energy: -48.858518
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -7.620
flat angles P-C4'-P energy: -10.971
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -89.770226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.770226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.770226 (E_RNA)
where:
Base-Base interactions energy: -42.830
where: short stacking energy: -42.830
Base-Backbone interact. energy: -0.748
local terms energy: -46.192601
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -9.262
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -6.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -76.024270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.024270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.024270 (E_RNA)
where:
Base-Base interactions energy: -23.753
where: short stacking energy: -21.965
Base-Backbone interact. energy: -0.205
local terms energy: -52.065700
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -72.780755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.780755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.780755 (E_RNA)
where:
Base-Base interactions energy: -22.090
where: short stacking energy: -22.090
Base-Backbone interact. energy: 0.190
local terms energy: -50.879940
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -217.970695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.970695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.970695 (E_RNA)
where:
Base-Base interactions energy: -135.622
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.031
local terms energy: -82.318080
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -22.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -202.967166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.967166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967166 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -60.303
Base-Backbone interact. energy: 0.682
local terms energy: -73.499141
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -208.218452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.218452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.218452 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.022
local terms energy: -66.246590
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.080
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -212.232424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.232424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.232424 (E_RNA)
where:
Base-Base interactions energy: -137.256
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.061
local terms energy: -74.914672
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -194.952436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.952436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.952436 (E_RNA)
where:
Base-Base interactions energy: -124.122
where: short stacking energy: -61.679
Base-Backbone interact. energy: -0.077
local terms energy: -70.753286
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -21.327
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -142.918027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.918027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.918027 (E_RNA)
where:
Base-Base interactions energy: -85.305
where: short stacking energy: -42.493
Base-Backbone interact. energy: -0.439
local terms energy: -57.174353
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -98.044401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.044401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.044401 (E_RNA)
where:
Base-Base interactions energy: -47.547
where: short stacking energy: -33.216
Base-Backbone interact. energy: -0.104
local terms energy: -50.393165
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -80.723093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723093 (E_RNA)
where:
Base-Base interactions energy: -38.019
where: short stacking energy: -33.036
Base-Backbone interact. energy: 0.552
local terms energy: -43.255345
where:
bonds (distance) C4'-P energy: -9.244
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -10.138
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -76.416074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.416074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.416074 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -29.809
Base-Backbone interact. energy: -0.055
local terms energy: -45.846881
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -3.254
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: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -78.168323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.168323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.168323 (E_RNA)
where:
Base-Base interactions energy: -26.385
where: short stacking energy: -19.945
Base-Backbone interact. energy: 2.552
local terms energy: -54.335106
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -1.096
tors. eta vs tors. theta energy: -5.861
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: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -214.489652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489652 (E_RNA)
where:
Base-Base interactions energy: -134.221
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.069
local terms energy: -80.200045
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -215.666044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.666044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.666044 (E_RNA)
where:
Base-Base interactions energy: -134.053
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.052
local terms energy: -81.560477
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -20.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -205.170174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170174 (E_RNA)
where:
Base-Base interactions energy: -135.291
where: short stacking energy: -67.290
Base-Backbone interact. energy: -0.566
local terms energy: -69.313274
where:
bonds (distance) C4'-P energy: -6.989
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -12.758
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: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -204.359171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.359171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359171 (E_RNA)
where:
Base-Base interactions energy: -134.247
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.102
local terms energy: -70.010128
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -206.514563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.514563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.514563 (E_RNA)
where:
Base-Base interactions energy: -126.674
where: short stacking energy: -64.781
Base-Backbone interact. energy: -0.038
local terms energy: -79.802278
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -138.882953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.882953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.882953 (E_RNA)
where:
Base-Base interactions energy: -84.140
where: short stacking energy: -42.557
Base-Backbone interact. energy: -0.279
local terms energy: -54.463560
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -5.197
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: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -99.309062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.309062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.309062 (E_RNA)
where:
Base-Base interactions energy: -38.462
where: short stacking energy: -26.787
Base-Backbone interact. energy: -0.133
local terms energy: -60.714835
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.193
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: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -87.068205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.068205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.068205 (E_RNA)
where:
Base-Base interactions energy: -36.417
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.261
local terms energy: -50.389964
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -78.077122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.077122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.077122 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -32.036
Base-Backbone interact. energy: 0.199
local terms energy: -45.760486
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -5.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -86.894243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.894243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.894243 (E_RNA)
where:
Base-Base interactions energy: -32.572
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.238
local terms energy: -54.083817
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -4.484
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: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -222.201348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.201348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.201348 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -72.184
Base-Backbone interact. energy: -0.097
local terms energy: -80.346668
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -20.178
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -212.642480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.642480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.642480 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -67.248
Base-Backbone interact. energy: -0.857
local terms energy: -74.370902
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -18.050
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: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -211.916115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.916115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.916115 (E_RNA)
where:
Base-Base interactions energy: -137.579
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.015
local terms energy: -74.322573
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -198.163009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163009 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -58.411
Base-Backbone interact. energy: -0.314
local terms energy: -68.300530
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -197.064385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.064385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.064385 (E_RNA)
where:
Base-Base interactions energy: -129.467
where: short stacking energy: -63.066
Base-Backbone interact. energy: -0.202
local terms energy: -67.394991
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -136.756066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.756066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.756066 (E_RNA)
where:
Base-Base interactions energy: -73.766
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.428
local terms energy: -62.562734
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -8.556
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: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -84.362666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.362666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.362666 (E_RNA)
where:
Base-Base interactions energy: -39.682
where: short stacking energy: -34.511
Base-Backbone interact. energy: -0.707
local terms energy: -43.973131
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -8.501
flat angles P-C4'-P energy: -6.211
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: 8, replica: 3
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -84.700200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.700200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.700200 (E_RNA)
where:
Base-Base interactions energy: -37.338
where: short stacking energy: -34.911
Base-Backbone interact. energy: -0.190
local terms energy: -47.172209
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -77.493968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.493968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.493968 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.008
local terms energy: -51.406427
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -76.432856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.432856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.432856 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -32.896
Base-Backbone interact. energy: 0.126
local terms energy: -43.662506
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: 3.082
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -219.215003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.215003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.215003 (E_RNA)
where:
Base-Base interactions energy: -139.521
where: short stacking energy: -71.953
Base-Backbone interact. energy: -0.009
local terms energy: -79.684862
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -20.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -214.140452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.140452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.140452 (E_RNA)
where:
Base-Base interactions energy: -143.582
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.472
local terms energy: -70.086758
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -210.434379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.434379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.434379 (E_RNA)
where:
Base-Base interactions energy: -138.837
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.014
local terms energy: -71.583126
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -18.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -199.621980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.621980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.621980 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.733
local terms energy: -73.950262
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -208.254482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.254482 (E_RNA)
where:
Base-Base interactions energy: -134.501
where: short stacking energy: -65.156
Base-Backbone interact. energy: 1.635
local terms energy: -75.388639
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -17.561
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: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -174.364076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.364076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.364076 (E_RNA)
where:
Base-Base interactions energy: -119.435
where: short stacking energy: -59.695
Base-Backbone interact. energy: -0.248
local terms energy: -54.680969
where:
bonds (distance) C4'-P energy: -7.917
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -81.627221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.627221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.627221 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -32.715
Base-Backbone interact. energy: -0.148
local terms energy: -48.548456
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -85.660598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.660598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.660598 (E_RNA)
where:
Base-Base interactions energy: -42.741
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.028
local terms energy: -42.891700
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -4.847
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: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -72.392459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.392459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.392459 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.313
local terms energy: -38.315776
where:
bonds (distance) C4'-P energy: -9.574
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -3.188
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: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -76.589845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.589845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.589845 (E_RNA)
where:
Base-Base interactions energy: -32.623
where: short stacking energy: -25.694
Base-Backbone interact. energy: -0.302
local terms energy: -43.664899
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -5.360
tors. eta vs tors. theta energy: -0.824
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: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -222.440107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.440107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.440107 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -65.053
Base-Backbone interact. energy: -0.032
local terms energy: -76.708241
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -213.540268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.540268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.540268 (E_RNA)
where:
Base-Base interactions energy: -139.522
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.146
local terms energy: -73.873115
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -211.199223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.199223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.199223 (E_RNA)
where:
Base-Base interactions energy: -137.412
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.079
local terms energy: -73.708249
where:
bonds (distance) C4'-P energy: -9.267
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -196.484332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.484332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.484332 (E_RNA)
where:
Base-Base interactions energy: -121.980
where: short stacking energy: -58.310
Base-Backbone interact. energy: -0.005
local terms energy: -74.498703
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -19.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -199.801618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.801618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.801618 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -64.689
Base-Backbone interact. energy: -0.103
local terms energy: -69.809523
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -6.363
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: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -155.314969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.314969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.314969 (E_RNA)
where:
Base-Base interactions energy: -97.166
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.102
local terms energy: -58.046877
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -14.965
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: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -84.974275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.974275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.974275 (E_RNA)
where:
Base-Base interactions energy: -34.349
where: short stacking energy: -34.349
Base-Backbone interact. energy: -0.095
local terms energy: -50.530495
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -8.082
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -104.912740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.912740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.912740 (E_RNA)
where:
Base-Base interactions energy: -53.451
where: short stacking energy: -33.382
Base-Backbone interact. energy: -0.124
local terms energy: -51.337013
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -74.356787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.356787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.356787 (E_RNA)
where:
Base-Base interactions energy: -27.716
where: short stacking energy: -27.693
Base-Backbone interact. energy: 1.031
local terms energy: -47.671640
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -71.203762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.203762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.203762 (E_RNA)
where:
Base-Base interactions energy: -19.283
where: short stacking energy: -18.438
Base-Backbone interact. energy: 2.429
local terms energy: -54.349899
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: 2.667
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: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -217.516325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.516325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.516325 (E_RNA)
where:
Base-Base interactions energy: -147.544
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.641
local terms energy: -69.331946
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -196.320938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.320938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.320938 (E_RNA)
where:
Base-Base interactions energy: -125.400
where: short stacking energy: -59.478
Base-Backbone interact. energy: 1.569
local terms energy: -72.490428
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -15.551
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: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -211.130626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.130626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.130626 (E_RNA)
where:
Base-Base interactions energy: -136.007
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.166
local terms energy: -74.957752
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -18.275
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: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -202.341071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.341071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.341071 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -68.364
Base-Backbone interact. energy: -0.130
local terms energy: -73.730013
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -17.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -203.036043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.036043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.036043 (E_RNA)
where:
Base-Base interactions energy: -126.650
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.579
local terms energy: -75.806803
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -179.746931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.746931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.746931 (E_RNA)
where:
Base-Base interactions energy: -110.039
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.006
local terms energy: -69.702329
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -16.375
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: 119
Temperature: 1.200000
Total energy: -101.012046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.012046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.012046 (E_RNA)
where:
Base-Base interactions energy: -47.809
where: short stacking energy: -34.207
Base-Backbone interact. energy: -0.281
local terms energy: -52.921885
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -81.322333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.322333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.322333 (E_RNA)
where:
Base-Base interactions energy: -29.970
where: short stacking energy: -23.197
Base-Backbone interact. energy: -0.244
local terms energy: -51.108377
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -91.973538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.973538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.973538 (E_RNA)
where:
Base-Base interactions energy: -42.971
where: short stacking energy: -13.650
Base-Backbone interact. energy: -0.192
local terms energy: -48.810370
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -10.042
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -1.948
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: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -80.077863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.077863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.077863 (E_RNA)
where:
Base-Base interactions energy: -44.110
where: short stacking energy: -16.750
Base-Backbone interact. energy: -1.284
local terms energy: -34.683989
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -9.150
flat angles P-C4'-P energy: 0.563
tors. eta vs tors. theta energy: 4.837
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: 9
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -211.914073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.914073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.914073 (E_RNA)
where:
Base-Base interactions energy: -141.955
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.457
local terms energy: -69.501351
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -200.396183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.396183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.396183 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -60.818
Base-Backbone interact. energy: -0.106
local terms energy: -65.605846
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -15.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -212.774023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.774023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.774023 (E_RNA)
where:
Base-Base interactions energy: -140.900
where: short stacking energy: -70.241
Base-Backbone interact. energy: -0.008
local terms energy: -71.866712
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -206.204515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.204515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.204515 (E_RNA)
where:
Base-Base interactions energy: -137.217
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.329
local terms energy: -68.658541
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -165.996095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.996095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.996095 (E_RNA)
where:
Base-Base interactions energy: -108.101
where: short stacking energy: -56.225
Base-Backbone interact. energy: 0.448
local terms energy: -58.342867
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -4.911
tors. eta vs tors. theta energy: -14.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -183.605004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.605004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605004 (E_RNA)
where:
Base-Base interactions energy: -117.679
where: short stacking energy: -61.968
Base-Backbone interact. energy: -0.093
local terms energy: -65.832469
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -110.553293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553293 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.136
local terms energy: -59.487714
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -10.948
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: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -103.568520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.568520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.568520 (E_RNA)
where:
Base-Base interactions energy: -56.364
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.253
local terms energy: -46.950712
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -81.481669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.481669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.481669 (E_RNA)
where:
Base-Base interactions energy: -34.381
where: short stacking energy: -34.012
Base-Backbone interact. energy: -0.097
local terms energy: -47.003490
where:
bonds (distance) C4'-P energy: -9.987
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -3.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -70.918908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.918908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.918908 (E_RNA)
where:
Base-Base interactions energy: -23.411
where: short stacking energy: -18.374
Base-Backbone interact. energy: -0.512
local terms energy: -46.996575
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: 3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -214.074989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.074989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.074989 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -64.726
Base-Backbone interact. energy: -0.788
local terms energy: -77.615879
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -219.731928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.731928 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -77.801
Base-Backbone interact. energy: -0.006
local terms energy: -75.555396
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -203.690539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.690539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.690539 (E_RNA)
where:
Base-Base interactions energy: -131.970
where: short stacking energy: -59.179
Base-Backbone interact. energy: 0.110
local terms energy: -71.830437
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -212.417388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.417388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.417388 (E_RNA)
where:
Base-Base interactions energy: -135.071
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.038
local terms energy: -77.308323
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -171.748956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.748956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.748956 (E_RNA)
where:
Base-Base interactions energy: -104.632
where: short stacking energy: -51.681
Base-Backbone interact. energy: -0.700
local terms energy: -66.417373
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -181.485364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.485364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.485364 (E_RNA)
where:
Base-Base interactions energy: -111.077
where: short stacking energy: -55.804
Base-Backbone interact. energy: -0.651
local terms energy: -69.757396
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -83.463484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.463484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.463484 (E_RNA)
where:
Base-Base interactions energy: -31.020
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.178
local terms energy: -52.264856
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -7.568
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: 8, replica: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -89.248319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.248319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.248319 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -29.052
Base-Backbone interact. energy: -0.037
local terms energy: -54.610460
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -2.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -75.472170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.472170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.472170 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -21.290
Base-Backbone interact. energy: 0.289
local terms energy: -36.873138
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -6.337
flat angles P-C4'-P energy: -3.908
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -81.660793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.660793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.660793 (E_RNA)
where:
Base-Base interactions energy: -31.031
where: short stacking energy: -18.274
Base-Backbone interact. energy: -0.216
local terms energy: -50.414434
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -12.465
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: 1, replica: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -227.244416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.244416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.244416 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -73.998
Base-Backbone interact. energy: 1.186
local terms energy: -79.910809
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -15.028
tors. eta vs tors. theta energy: -19.107
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: 122
Temperature: 0.950000
Total energy: -214.802794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.802794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.802794 (E_RNA)
where:
Base-Base interactions energy: -146.697
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.108
local terms energy: -67.998193
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -16.885
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: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -206.568960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.568960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.568960 (E_RNA)
where:
Base-Base interactions energy: -134.753
where: short stacking energy: -65.039
Base-Backbone interact. energy: 0.841
local terms energy: -72.656713
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -183.476516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.476516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.476516 (E_RNA)
where:
Base-Base interactions energy: -117.174
where: short stacking energy: -52.281
Base-Backbone interact. energy: 0.773
local terms energy: -67.075387
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -10.033
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: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -177.556956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.556956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.556956 (E_RNA)
where:
Base-Base interactions energy: -118.597
where: short stacking energy: -52.340
Base-Backbone interact. energy: 0.538
local terms energy: -59.498163
where:
bonds (distance) C4'-P energy: -5.053
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -12.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -142.582564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.582564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.582564 (E_RNA)
where:
Base-Base interactions energy: -79.082
where: short stacking energy: -37.655
Base-Backbone interact. energy: -0.033
local terms energy: -63.466931
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -8.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -101.270119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.270119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.270119 (E_RNA)
where:
Base-Base interactions energy: -51.418
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.063
local terms energy: -49.789533
where:
bonds (distance) C4'-P energy: -12.821
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -5.545
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -90.309835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309835 (E_RNA)
where:
Base-Base interactions energy: -37.390
where: short stacking energy: -37.390
Base-Backbone interact. energy: -0.495
local terms energy: -52.423977
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -85.855244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.855244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.855244 (E_RNA)
where:
Base-Base interactions energy: -40.805
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.293
local terms energy: -44.756800
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: 0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -76.094048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.094048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.094048 (E_RNA)
where:
Base-Base interactions energy: -22.580
where: short stacking energy: -16.822
Base-Backbone interact. energy: -0.370
local terms energy: -53.143744
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -2.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -222.958681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.958681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.958681 (E_RNA)
where:
Base-Base interactions energy: -144.182
where: short stacking energy: -71.506
Base-Backbone interact. energy: -0.475
local terms energy: -78.301860
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -18.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -214.004918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.004918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.004918 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -66.365
Base-Backbone interact. energy: -0.041
local terms energy: -72.956149
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -10.214
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: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -214.005746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.005746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.005746 (E_RNA)
where:
Base-Base interactions energy: -134.679
where: short stacking energy: -69.709
Base-Backbone interact. energy: -0.014
local terms energy: -79.313201
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -204.748697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.748697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.748697 (E_RNA)
where:
Base-Base interactions energy: -134.711
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.001
local terms energy: -70.037228
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -176.743474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743474 (E_RNA)
where:
Base-Base interactions energy: -118.614
where: short stacking energy: -55.058
Base-Backbone interact. energy: -0.014
local terms energy: -58.115471
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -4.367
flat angles P-C4'-P energy: -7.392
tors. eta vs tors. theta energy: -19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -150.422139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.422139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.422139 (E_RNA)
where:
Base-Base interactions energy: -93.197
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.269
local terms energy: -56.956517
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -12.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -103.760093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.760093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.760093 (E_RNA)
where:
Base-Base interactions energy: -49.412
where: short stacking energy: -36.408
Base-Backbone interact. energy: -0.185
local terms energy: -54.162993
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -94.785766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.785766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.785766 (E_RNA)
where:
Base-Base interactions energy: -45.844
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.038
local terms energy: -48.903588
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -80.153815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.153815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.153815 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -13.884
Base-Backbone interact. energy: -0.691
local terms energy: -50.367345
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: 5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -97.679784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.679784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.679784 (E_RNA)
where:
Base-Base interactions energy: -56.182
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.148
local terms energy: -41.348996
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -10.177
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -5.352
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: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -219.236551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.236551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.236551 (E_RNA)
where:
Base-Base interactions energy: -147.493
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.128
local terms energy: -71.616028
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -23.368
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: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -215.612633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.612633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.612633 (E_RNA)
where:
Base-Base interactions energy: -137.684
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.024
local terms energy: -77.904644
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -206.088790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.088790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.088790 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -66.349
Base-Backbone interact. energy: -0.007
local terms energy: -73.320387
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -184.844181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.844181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.844181 (E_RNA)
where:
Base-Base interactions energy: -116.349
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.241
local terms energy: -68.253984
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -12.054
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: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -178.272767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.272767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.272767 (E_RNA)
where:
Base-Base interactions energy: -116.642
where: short stacking energy: -50.637
Base-Backbone interact. energy: -0.185
local terms energy: -61.445490
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -187.911345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.911345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.911345 (E_RNA)
where:
Base-Base interactions energy: -111.296
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.307
local terms energy: -76.308065
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -95.439136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.439136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.439136 (E_RNA)
where:
Base-Base interactions energy: -40.736
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.276
local terms energy: -54.426766
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -4.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -93.972921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.972921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.972921 (E_RNA)
where:
Base-Base interactions energy: -37.136
where: short stacking energy: -37.136
Base-Backbone interact. energy: -0.110
local terms energy: -56.727743
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -9.227
flat angles P-C4'-P energy: -10.828
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -128.172548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.172548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.172548 (E_RNA)
where:
Base-Base interactions energy: -73.962
where: short stacking energy: -41.520
Base-Backbone interact. energy: 1.376
local terms energy: -55.585856
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -84.347460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.347460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.347460 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -24.510
Base-Backbone interact. energy: -0.043
local terms energy: -54.208696
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -0.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -221.115247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.115247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.115247 (E_RNA)
where:
Base-Base interactions energy: -141.208
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.063
local terms energy: -79.844411
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -210.466114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.466114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.466114 (E_RNA)
where:
Base-Base interactions energy: -140.045
where: short stacking energy: -66.926
Base-Backbone interact. energy: 0.907
local terms energy: -71.327686
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.124720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.124720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.124720 (E_RNA)
where:
Base-Base interactions energy: -142.930
where: short stacking energy: -67.117
Base-Backbone interact. energy: -0.448
local terms energy: -69.746830
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -19.546
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: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -190.004424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.004424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.004424 (E_RNA)
where:
Base-Base interactions energy: -127.708
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.297
local terms energy: -62.000084
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -16.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -166.062512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.062512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.062512 (E_RNA)
where:
Base-Base interactions energy: -108.860
where: short stacking energy: -52.188
Base-Backbone interact. energy: -1.360
local terms energy: -55.843070
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -4.248
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -198.358536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.358536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.358536 (E_RNA)
where:
Base-Base interactions energy: -126.518
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.632
local terms energy: -71.209160
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -94.997894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.997894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.997894 (E_RNA)
where:
Base-Base interactions energy: -43.582
where: short stacking energy: -33.624
Base-Backbone interact. energy: -0.015
local terms energy: -51.400913
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -9.122
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -138.009853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.009853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.009853 (E_RNA)
where:
Base-Base interactions energy: -77.671
where: short stacking energy: -43.307
Base-Backbone interact. energy: -0.369
local terms energy: -59.969957
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -10.972
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -72.682008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.682008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.682008 (E_RNA)
where:
Base-Base interactions energy: -20.710
where: short stacking energy: -19.126
Base-Backbone interact. energy: -0.285
local terms energy: -51.687088
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -83.881327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.881327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.881327 (E_RNA)
where:
Base-Base interactions energy: -29.810
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.419
local terms energy: -53.652272
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -9.104
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -8.857
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: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -216.354060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354060 (E_RNA)
where:
Base-Base interactions energy: -140.272
where: short stacking energy: -67.824
Base-Backbone interact. energy: -1.012
local terms energy: -75.069842
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -10.754
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -20.467
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: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -210.311283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.311283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.311283 (E_RNA)
where:
Base-Base interactions energy: -134.568
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.014
local terms energy: -75.729361
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -210.778149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.778149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.778149 (E_RNA)
where:
Base-Base interactions energy: -139.165
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.235
local terms energy: -71.378453
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -18.676
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: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -189.516293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.516293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.516293 (E_RNA)
where:
Base-Base interactions energy: -129.768
where: short stacking energy: -49.911
Base-Backbone interact. energy: -0.185
local terms energy: -59.563429
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -11.905
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -10.985
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: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -204.290135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.290135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.290135 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -65.419
Base-Backbone interact. energy: 0.089
local terms energy: -75.794505
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -173.372200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.372200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.372200 (E_RNA)
where:
Base-Base interactions energy: -115.471
where: short stacking energy: -45.994
Base-Backbone interact. energy: -0.274
local terms energy: -57.626724
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -93.642153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.642153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.642153 (E_RNA)
where:
Base-Base interactions energy: -35.653
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.252
local terms energy: -57.737012
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -90.828698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.828698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.828698 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: 0.068
local terms energy: -58.013859
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -85.831402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.831402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.831402 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -27.053
Base-Backbone interact. energy: -0.409
local terms energy: -49.762114
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -72.150011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.150011 (E_RNA)
where:
Base-Base interactions energy: -21.294
where: short stacking energy: -15.440
Base-Backbone interact. energy: -1.005
local terms energy: -49.850955
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -217.891072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.891072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.891072 (E_RNA)
where:
Base-Base interactions energy: -137.487
where: short stacking energy: -65.662
Base-Backbone interact. energy: -1.078
local terms energy: -79.326141
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -14.957
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -215.898587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.898587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.898587 (E_RNA)
where:
Base-Base interactions energy: -138.884
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.038
local terms energy: -76.975915
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -8.964
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: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -215.451235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.451235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.451235 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -74.629
Base-Backbone interact. energy: -0.095
local terms energy: -77.438269
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.320
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: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -193.386944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.386944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.386944 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.002
local terms energy: -74.222462
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -189.157927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.157927 (E_RNA)
where:
Base-Base interactions energy: -119.552
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.659
local terms energy: -68.947036
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -16.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -187.823434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.823434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.823434 (E_RNA)
where:
Base-Base interactions energy: -119.000
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.060
local terms energy: -68.764179
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -81.859614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.859614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.859614 (E_RNA)
where:
Base-Base interactions energy: -32.529
where: short stacking energy: -26.164
Base-Backbone interact. energy: -0.109
local terms energy: -49.221922
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.918
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: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -83.356619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356619 (E_RNA)
where:
Base-Base interactions energy: -45.315
where: short stacking energy: -20.894
Base-Backbone interact. energy: 0.460
local terms energy: -38.501436
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -91.673027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.673027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.673027 (E_RNA)
where:
Base-Base interactions energy: -37.014
where: short stacking energy: -36.475
Base-Backbone interact. energy: -0.068
local terms energy: -54.591238
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.457
flat angles P-C4'-P energy: -5.778
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: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -84.985121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.985121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.985121 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -40.135
Base-Backbone interact. energy: -0.115
local terms energy: -44.735125
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -6.094
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -213.965101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.965101 (E_RNA)
where:
Base-Base interactions energy: -140.394
where: short stacking energy: -68.646
Base-Backbone interact. energy: -0.447
local terms energy: -73.124227
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -215.216541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216541 (E_RNA)
where:
Base-Base interactions energy: -136.480
where: short stacking energy: -69.278
Base-Backbone interact. energy: -0.020
local terms energy: -78.715971
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -21.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -204.739672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.739672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.739672 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -72.183
Base-Backbone interact. energy: -0.000
local terms energy: -76.922273
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -20.601
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: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -203.675435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675435 (E_RNA)
where:
Base-Base interactions energy: -126.676
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.837
local terms energy: -76.162782
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -195.021054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.021054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.021054 (E_RNA)
where:
Base-Base interactions energy: -118.766
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.346
local terms energy: -75.908764
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -18.499
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: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -198.888136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.888136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888136 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -66.671
Base-Backbone interact. energy: -1.666
local terms energy: -67.447694
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -17.882
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: 128
Temperature: 1.200000
Total energy: -128.279634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.279634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.279634 (E_RNA)
where:
Base-Base interactions energy: -72.171
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.679
local terms energy: -55.429428
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -14.028
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -7.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -84.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089973 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.148
local terms energy: -54.361659
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -6.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -91.770535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770535 (E_RNA)
where:
Base-Base interactions energy: -49.062
where: short stacking energy: -27.167
Base-Backbone interact. energy: -0.513
local terms energy: -42.194609
where:
bonds (distance) C4'-P energy: -9.067
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -4.006
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -79.516604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.516604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.516604 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -29.814
Base-Backbone interact. energy: -0.202
local terms energy: -40.636163
where:
bonds (distance) C4'-P energy: -6.565
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -2.644
tors. eta vs tors. theta energy: -6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -223.148977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.148977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.148977 (E_RNA)
where:
Base-Base interactions energy: -147.358
where: short stacking energy: -65.348
Base-Backbone interact. energy: -0.064
local terms energy: -75.726923
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -18.304
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: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -210.811139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.811139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.811139 (E_RNA)
where:
Base-Base interactions energy: -133.197
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.082
local terms energy: -77.531868
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -20.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -214.565775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.565775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.565775 (E_RNA)
where:
Base-Base interactions energy: -138.517
where: short stacking energy: -66.780
Base-Backbone interact. energy: 0.275
local terms energy: -76.323731
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -14.497
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -194.278212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.278212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.278212 (E_RNA)
where:
Base-Base interactions energy: -126.359
where: short stacking energy: -51.329
Base-Backbone interact. energy: -0.260
local terms energy: -67.659004
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -15.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -187.667702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.667702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.667702 (E_RNA)
where:
Base-Base interactions energy: -116.288
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.072
local terms energy: -71.307161
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -130.976186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.976186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.976186 (E_RNA)
where:
Base-Base interactions energy: -71.459
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.266
local terms energy: -59.250950
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -4.586
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: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -178.112010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.112010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.112010 (E_RNA)
where:
Base-Base interactions energy: -109.289
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.853
local terms energy: -67.969354
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -115.404151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.404151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.404151 (E_RNA)
where:
Base-Base interactions energy: -71.908
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.163
local terms energy: -43.333382
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -3.216
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -79.896650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.896650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.896650 (E_RNA)
where:
Base-Base interactions energy: -30.434
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.089
local terms energy: -49.373611
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -67.773222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.773222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.773222 (E_RNA)
where:
Base-Base interactions energy: -23.381
where: short stacking energy: -23.381
Base-Backbone interact. energy: -0.146
local terms energy: -44.246072
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -215.202536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.202536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.202536 (E_RNA)
where:
Base-Base interactions energy: -141.333
where: short stacking energy: -68.974
Base-Backbone interact. energy: -0.001
local terms energy: -73.868021
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -211.108430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.108430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.108430 (E_RNA)
where:
Base-Base interactions energy: -131.859
where: short stacking energy: -70.338
Base-Backbone interact. energy: -0.018
local terms energy: -79.232048
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -13.516
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: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -212.163887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.163887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.163887 (E_RNA)
where:
Base-Base interactions energy: -138.019
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.020
local terms energy: -74.124785
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -161.876976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.876976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.876976 (E_RNA)
where:
Base-Base interactions energy: -91.439
where: short stacking energy: -47.736
Base-Backbone interact. energy: -0.808
local terms energy: -69.629545
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -129.592921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.592921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.592921 (E_RNA)
where:
Base-Base interactions energy: -73.842
where: short stacking energy: -43.116
Base-Backbone interact. energy: -0.363
local terms energy: -55.388428
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -185.356033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.356033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.356033 (E_RNA)
where:
Base-Base interactions energy: -115.712
where: short stacking energy: -60.841
Base-Backbone interact. energy: -0.040
local terms energy: -69.604364
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -17.398
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: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -179.676342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.676342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.676342 (E_RNA)
where:
Base-Base interactions energy: -116.031
where: short stacking energy: -53.625
Base-Backbone interact. energy: 0.895
local terms energy: -64.540162
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -126.507574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.507574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.507574 (E_RNA)
where:
Base-Base interactions energy: -72.842
where: short stacking energy: -36.821
Base-Backbone interact. energy: -0.136
local terms energy: -53.529670
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -7.648
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: 10
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -84.643727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643727 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.208
local terms energy: -52.387781
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -6.674
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: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -81.700855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.700855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.700855 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -28.758
Base-Backbone interact. energy: -0.191
local terms energy: -50.603591
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -8.361
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -5.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -221.636932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636932 (E_RNA)
where:
Base-Base interactions energy: -142.952
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.004
local terms energy: -78.681188
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -212.617448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.617448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.617448 (E_RNA)
where:
Base-Base interactions energy: -137.783
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.005
local terms energy: -74.829410
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -19.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -218.498388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.498388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.498388 (E_RNA)
where:
Base-Base interactions energy: -136.654
where: short stacking energy: -67.779
Base-Backbone interact. energy: -0.872
local terms energy: -80.971769
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -22.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -159.095557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.095557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.095557 (E_RNA)
where:
Base-Base interactions energy: -96.679
where: short stacking energy: -49.991
Base-Backbone interact. energy: -0.106
local terms energy: -62.310104
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -152.724117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.724117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.724117 (E_RNA)
where:
Base-Base interactions energy: -99.033
where: short stacking energy: -45.082
Base-Backbone interact. energy: -1.236
local terms energy: -52.455237
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -9.383
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: 131
Temperature: 1.150000
Total energy: -176.950806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.950806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.950806 (E_RNA)
where:
Base-Base interactions energy: -112.777
where: short stacking energy: -53.381
Base-Backbone interact. energy: 0.545
local terms energy: -64.719404
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -168.280666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.280666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.280666 (E_RNA)
where:
Base-Base interactions energy: -96.659
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.153
local terms energy: -71.468933
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -81.740324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.740324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.740324 (E_RNA)
where:
Base-Base interactions energy: -42.813
where: short stacking energy: -22.930
Base-Backbone interact. energy: -0.141
local terms energy: -38.786487
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -7.691
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: 9, replica: 3
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -116.859177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.859177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.859177 (E_RNA)
where:
Base-Base interactions energy: -68.418
where: short stacking energy: -38.715
Base-Backbone interact. energy: 0.695
local terms energy: -49.136816
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -7.342
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -7.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -73.149601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.149601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.149601 (E_RNA)
where:
Base-Base interactions energy: -23.180
where: short stacking energy: -23.180
Base-Backbone interact. energy: -0.325
local terms energy: -49.643965
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -218.453563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.453563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.453563 (E_RNA)
where:
Base-Base interactions energy: -136.141
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.621
local terms energy: -81.691407
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -219.799716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799716 (E_RNA)
where:
Base-Base interactions energy: -139.421
where: short stacking energy: -72.086
Base-Backbone interact. energy: -0.014
local terms energy: -80.364616
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -178.974706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.974706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.974706 (E_RNA)
where:
Base-Base interactions energy: -114.497
where: short stacking energy: -51.430
Base-Backbone interact. energy: 1.067
local terms energy: -65.545038
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -213.790496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.790496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.790496 (E_RNA)
where:
Base-Base interactions energy: -133.747
where: short stacking energy: -70.071
Base-Backbone interact. energy: 0.470
local terms energy: -80.513634
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -20.877
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: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -210.014566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.014566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.014566 (E_RNA)
where:
Base-Base interactions energy: -133.106
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.140
local terms energy: -76.768153
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -142.366313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.366313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.366313 (E_RNA)
where:
Base-Base interactions energy: -93.644
where: short stacking energy: -49.903
Base-Backbone interact. energy: -0.025
local terms energy: -48.697459
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -8.173
flat angles P-C4'-P energy: -3.726
tors. eta vs tors. theta energy: -13.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -95.148437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.148437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.148437 (E_RNA)
where:
Base-Base interactions energy: -36.893
where: short stacking energy: -22.696
Base-Backbone interact. energy: -0.204
local terms energy: -58.051946
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -85.808869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.808869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.808869 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -32.340
Base-Backbone interact. energy: -0.089
local terms energy: -53.379632
where:
bonds (distance) C4'-P energy: -6.551
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -78.191591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.191591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.191591 (E_RNA)
where:
Base-Base interactions energy: -38.251
where: short stacking energy: -25.878
Base-Backbone interact. energy: -0.185
local terms energy: -39.755843
where:
bonds (distance) C4'-P energy: -3.661
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -4.350
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: 3
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -106.868401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.868401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.868401 (E_RNA)
where:
Base-Base interactions energy: -64.050
where: short stacking energy: -30.695
Base-Backbone interact. energy: 0.327
local terms energy: -43.144784
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -212.084661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.084661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.084661 (E_RNA)
where:
Base-Base interactions energy: -135.017
where: short stacking energy: -64.443
Base-Backbone interact. energy: 0.081
local terms energy: -77.148941
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -223.251015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.251015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.251015 (E_RNA)
where:
Base-Base interactions energy: -148.325
where: short stacking energy: -76.713
Base-Backbone interact. energy: -0.195
local terms energy: -74.731096
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -205.433527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433527 (E_RNA)
where:
Base-Base interactions energy: -134.009
where: short stacking energy: -67.199
Base-Backbone interact. energy: 1.305
local terms energy: -72.729673
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -189.715383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.715383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.715383 (E_RNA)
where:
Base-Base interactions energy: -119.541
where: short stacking energy: -51.863
Base-Backbone interact. energy: -0.335
local terms energy: -69.839140
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -12.782
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -196.786487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.786487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.786487 (E_RNA)
where:
Base-Base interactions energy: -130.171
where: short stacking energy: -65.023
Base-Backbone interact. energy: 1.485
local terms energy: -68.100239
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -149.946088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.946088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.946088 (E_RNA)
where:
Base-Base interactions energy: -93.448
where: short stacking energy: -49.625
Base-Backbone interact. energy: 3.299
local terms energy: -59.797008
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -12.939
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: 133
Temperature: 1.200000
Total energy: -90.927968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.927968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.927968 (E_RNA)
where:
Base-Base interactions energy: -38.462
where: short stacking energy: -38.462
Base-Backbone interact. energy: -0.809
local terms energy: -51.657028
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -92.693293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.693293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.693293 (E_RNA)
where:
Base-Base interactions energy: -37.197
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.521
local terms energy: -54.976142
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -6.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -91.275229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.275229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.275229 (E_RNA)
where:
Base-Base interactions energy: -35.668
where: short stacking energy: -28.098
Base-Backbone interact. energy: -0.156
local terms energy: -55.451382
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -8.271
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: 10, replica: 3
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -71.753572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.753572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.753572 (E_RNA)
where:
Base-Base interactions energy: -41.316
where: short stacking energy: -17.047
Base-Backbone interact. energy: 1.238
local terms energy: -31.675156
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -8.499
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: 4.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -222.464334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.464334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.464334 (E_RNA)
where:
Base-Base interactions energy: -147.459
where: short stacking energy: -69.545
Base-Backbone interact. energy: 0.953
local terms energy: -75.958813
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -215.969840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.969840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.969840 (E_RNA)
where:
Base-Base interactions energy: -134.993
where: short stacking energy: -69.287
Base-Backbone interact. energy: -0.237
local terms energy: -80.739496
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -216.604589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.604589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.604589 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.056
local terms energy: -74.774022
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -216.720127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.720127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.720127 (E_RNA)
where:
Base-Base interactions energy: -140.014
where: short stacking energy: -64.884
Base-Backbone interact. energy: -0.783
local terms energy: -75.922825
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -19.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -201.408981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.408981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.408981 (E_RNA)
where:
Base-Base interactions energy: -127.492
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.000
local terms energy: -73.916339
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -126.160177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.160177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.160177 (E_RNA)
where:
Base-Base interactions energy: -66.725
where: short stacking energy: -30.758
Base-Backbone interact. energy: -0.866
local terms energy: -58.569509
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -104.756624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.756624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.756624 (E_RNA)
where:
Base-Base interactions energy: -48.003
where: short stacking energy: -37.437
Base-Backbone interact. energy: -0.024
local terms energy: -56.729659
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -82.250426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.250426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.250426 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -26.505
Base-Backbone interact. energy: -0.083
local terms energy: -53.086863
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: 1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.000254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000254 (E_RNA)
where:
Base-Base interactions energy: -25.906
where: short stacking energy: -21.877
Base-Backbone interact. energy: -1.534
local terms energy: -52.560207
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -71.274099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.274099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.274099 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -19.514
Base-Backbone interact. energy: -0.057
local terms energy: -46.313210
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -217.843093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.843093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.843093 (E_RNA)
where:
Base-Base interactions energy: -141.639
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.326
local terms energy: -75.877749
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -219.158829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.158829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.158829 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -70.474
Base-Backbone interact. energy: 0.230
local terms energy: -81.341928
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -231.023183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.023183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.023183 (E_RNA)
where:
Base-Base interactions energy: -150.219
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.254
local terms energy: -80.549479
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -16.592
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -207.693417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.693417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.693417 (E_RNA)
where:
Base-Base interactions energy: -134.266
where: short stacking energy: -67.385
Base-Backbone interact. energy: -0.060
local terms energy: -73.368169
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -188.799748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.799748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.799748 (E_RNA)
where:
Base-Base interactions energy: -115.694
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.716
local terms energy: -72.389929
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -16.925
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: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -125.979979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.979979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.979979 (E_RNA)
where:
Base-Base interactions energy: -74.449
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.215
local terms energy: -51.315650
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -7.731
flat angles P-C4'-P energy: -8.984
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: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -88.411080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411080 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -25.979
Base-Backbone interact. energy: -0.124
local terms energy: -58.437002
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -4.971
tors. eta vs tors. theta energy: -5.074
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: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -85.668627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.668627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.668627 (E_RNA)
where:
Base-Base interactions energy: -29.741
where: short stacking energy: -29.091
Base-Backbone interact. energy: -0.029
local terms energy: -55.899000
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -4.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -88.861649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.861649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.861649 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -20.803
Base-Backbone interact. energy: -0.339
local terms energy: -52.123317
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -89.059244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.059244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.059244 (E_RNA)
where:
Base-Base interactions energy: -35.875
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.149
local terms energy: -53.035659
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -4.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -224.840151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.840151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.840151 (E_RNA)
where:
Base-Base interactions energy: -141.063
where: short stacking energy: -78.185
Base-Backbone interact. energy: -0.217
local terms energy: -83.560545
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -24.529
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: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -222.389531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.389531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.389531 (E_RNA)
where:
Base-Base interactions energy: -151.048
where: short stacking energy: -66.660
Base-Backbone interact. energy: 1.102
local terms energy: -72.442565
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -13.890
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: 136
Temperature: 1.000000
Total energy: -208.732396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.732396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.732396 (E_RNA)
where:
Base-Base interactions energy: -138.025
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.011
local terms energy: -70.696813
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -19.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -220.670917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.670917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.670917 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.093
local terms energy: -78.392385
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -196.298684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.298684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.298684 (E_RNA)
where:
Base-Base interactions energy: -124.048
where: short stacking energy: -54.851
Base-Backbone interact. energy: -0.939
local terms energy: -71.311723
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -15.227
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -13.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -132.884443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.884443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.884443 (E_RNA)
where:
Base-Base interactions energy: -67.089
where: short stacking energy: -39.984
Base-Backbone interact. energy: -0.211
local terms energy: -65.584795
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -8.739
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: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -94.760354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.760354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.760354 (E_RNA)
where:
Base-Base interactions energy: -50.399
where: short stacking energy: -28.544
Base-Backbone interact. energy: -0.236
local terms energy: -44.125257
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -102.888037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.888037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.888037 (E_RNA)
where:
Base-Base interactions energy: -45.280
where: short stacking energy: -25.622
Base-Backbone interact. energy: -0.204
local terms energy: -57.403812
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.853
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: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -80.097174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.097174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.097174 (E_RNA)
where:
Base-Base interactions energy: -32.614
where: short stacking energy: -32.614
Base-Backbone interact. energy: 0.028
local terms energy: -47.511257
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -5.105
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: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -76.041328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.041328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.041328 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -20.343
Base-Backbone interact. energy: -0.453
local terms energy: -44.646823
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -7.917
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -218.102196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.102196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.102196 (E_RNA)
where:
Base-Base interactions energy: -140.396
where: short stacking energy: -71.161
Base-Backbone interact. energy: -0.440
local terms energy: -77.266592
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -215.913369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.913369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.913369 (E_RNA)
where:
Base-Base interactions energy: -133.410
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.273
local terms energy: -82.230910
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -212.199337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.199337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.199337 (E_RNA)
where:
Base-Base interactions energy: -142.173
where: short stacking energy: -70.849
Base-Backbone interact. energy: 2.506
local terms energy: -72.533092
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -181.250790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.250790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.250790 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -51.387
Base-Backbone interact. energy: -1.016
local terms energy: -56.370842
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -201.229649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.229649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.229649 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -65.680
Base-Backbone interact. energy: -0.042
local terms energy: -70.102525
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -7.897
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: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -121.484940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.484940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.484940 (E_RNA)
where:
Base-Base interactions energy: -69.265
where: short stacking energy: -25.893
Base-Backbone interact. energy: -0.107
local terms energy: -52.112776
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -9.096
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -166.501546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.501546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.501546 (E_RNA)
where:
Base-Base interactions energy: -105.017
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.065
local terms energy: -61.419035
where:
bonds (distance) C4'-P energy: -7.708
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -11.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -83.909188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909188 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -29.973
Base-Backbone interact. energy: -0.160
local terms energy: -52.423388
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -7.648
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: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -81.598175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.598175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.598175 (E_RNA)
where:
Base-Base interactions energy: -28.549
where: short stacking energy: -24.274
Base-Backbone interact. energy: 0.364
local terms energy: -53.413117
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -81.001026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.001026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.001026 (E_RNA)
where:
Base-Base interactions energy: -30.430
where: short stacking energy: -30.430
Base-Backbone interact. energy: 1.221
local terms energy: -51.791915
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -223.041276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.041276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.041276 (E_RNA)
where:
Base-Base interactions energy: -138.775
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.545
local terms energy: -83.721484
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -214.513821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.513821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.513821 (E_RNA)
where:
Base-Base interactions energy: -138.297
where: short stacking energy: -68.997
Base-Backbone interact. energy: -0.315
local terms energy: -75.901916
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -10.927
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: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -217.313882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.313882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.313882 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -64.009
Base-Backbone interact. energy: -1.059
local terms energy: -78.007553
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -18.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -191.672250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.672250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.672250 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.015
local terms energy: -71.159796
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -194.161391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.161391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.161391 (E_RNA)
where:
Base-Base interactions energy: -116.625
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.097
local terms energy: -77.439947
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -18.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -118.774474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.774474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.774474 (E_RNA)
where:
Base-Base interactions energy: -60.188
where: short stacking energy: -34.238
Base-Backbone interact. energy: -0.590
local terms energy: -57.996423
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -125.002131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.002131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.002131 (E_RNA)
where:
Base-Base interactions energy: -66.951
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.863
local terms energy: -57.187862
where:
bonds (distance) C4'-P energy: -13.073
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.535
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: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -81.621365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.621365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.621365 (E_RNA)
where:
Base-Base interactions energy: -35.454
where: short stacking energy: -35.454
Base-Backbone interact. energy: -0.207
local terms energy: -45.960479
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -1.574
tors. eta vs tors. theta energy: -4.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -106.384245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.384245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.384245 (E_RNA)
where:
Base-Base interactions energy: -52.016
where: short stacking energy: -27.012
Base-Backbone interact. energy: -0.513
local terms energy: -53.855329
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -7.796
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: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -81.908056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908056 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -21.888
Base-Backbone interact. energy: -0.691
local terms energy: -49.842469
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -9.653
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -218.309706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.309706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.309706 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -72.876
Base-Backbone interact. energy: -0.268
local terms energy: -77.659986
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -215.296208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.296208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.296208 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.036
local terms energy: -73.538199
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -17.572
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -202.914488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.914488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.914488 (E_RNA)
where:
Base-Base interactions energy: -133.733
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.015
local terms energy: -69.166717
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -14.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -210.185013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.185013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.185013 (E_RNA)
where:
Base-Base interactions energy: -134.306
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.468
local terms energy: -75.411551
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -189.464985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.464985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.464985 (E_RNA)
where:
Base-Base interactions energy: -114.976
where: short stacking energy: -56.215
Base-Backbone interact. energy: -1.009
local terms energy: -73.480062
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -16.960
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -102.470757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.470757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.470757 (E_RNA)
where:
Base-Base interactions energy: -37.742
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.053
local terms energy: -64.675492
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -9.668
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -106.348300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348300 (E_RNA)
where:
Base-Base interactions energy: -50.653
where: short stacking energy: -35.973
Base-Backbone interact. energy: 0.059
local terms energy: -55.754461
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -114.351237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.351237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.351237 (E_RNA)
where:
Base-Base interactions energy: -61.505
where: short stacking energy: -39.313
Base-Backbone interact. energy: -0.067
local terms energy: -52.779159
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -83.023146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.023146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.023146 (E_RNA)
where:
Base-Base interactions energy: -31.824
where: short stacking energy: -30.466
Base-Backbone interact. energy: -0.224
local terms energy: -50.974818
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -78.728784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.728784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.728784 (E_RNA)
where:
Base-Base interactions energy: -37.761
where: short stacking energy: -37.761
Base-Backbone interact. energy: -0.079
local terms energy: -40.888437
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -7.597
flat angles P-C4'-P energy: -4.902
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -218.973307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.973307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.973307 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.175
local terms energy: -74.842337
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -210.043771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.043771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.043771 (E_RNA)
where:
Base-Base interactions energy: -138.961
where: short stacking energy: -73.158
Base-Backbone interact. energy: 0.426
local terms energy: -71.508525
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -207.109013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.109013 (E_RNA)
where:
Base-Base interactions energy: -129.082
where: short stacking energy: -63.779
Base-Backbone interact. energy: -0.090
local terms energy: -77.937584
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -206.086002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.086002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.086002 (E_RNA)
where:
Base-Base interactions energy: -135.453
where: short stacking energy: -71.220
Base-Backbone interact. energy: -0.129
local terms energy: -70.504021
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -208.895275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.895275 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -70.005
Base-Backbone interact. energy: -0.561
local terms energy: -78.196934
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -22.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -104.062696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.062696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.062696 (E_RNA)
where:
Base-Base interactions energy: -48.689
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.342
local terms energy: -55.032515
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -94.176326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.176326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.176326 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -34.994
Base-Backbone interact. energy: 0.510
local terms energy: -59.643141
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -7.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -86.997369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997369 (E_RNA)
where:
Base-Base interactions energy: -34.914
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.373
local terms energy: -51.710052
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -83.547756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.547756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.547756 (E_RNA)
where:
Base-Base interactions energy: -32.284
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.216
local terms energy: -51.047830
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -80.611430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.611430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.611430 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -31.214
Base-Backbone interact. energy: -0.552
local terms energy: -47.842577
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -228.892924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.892924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.892924 (E_RNA)
where:
Base-Base interactions energy: -143.357
where: short stacking energy: -68.815
Base-Backbone interact. energy: -0.001
local terms energy: -85.535260
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -21.634
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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -224.006882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.006882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.006882 (E_RNA)
where:
Base-Base interactions energy: -149.168
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.075
local terms energy: -74.764291
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -13.292
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: 8
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -207.360848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.360848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.360848 (E_RNA)
where:
Base-Base interactions energy: -128.339
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.023
local terms energy: -78.999099
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -22.857
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: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -196.599335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.599335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.599335 (E_RNA)
where:
Base-Base interactions energy: -129.658
where: short stacking energy: -63.839
Base-Backbone interact. energy: -0.165
local terms energy: -66.776420
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -197.337466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.337466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.337466 (E_RNA)
where:
Base-Base interactions energy: -133.640
where: short stacking energy: -66.552
Base-Backbone interact. energy: -0.010
local terms energy: -63.688225
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -2.818
tors. eta vs tors. theta energy: -22.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -93.956790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.956790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.956790 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -38.776
Base-Backbone interact. energy: -0.163
local terms energy: -55.016871
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -88.451296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.451296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.451296 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.187
local terms energy: -53.732562
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -8.394
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: 8, replica: 7
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -79.724372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724372 (E_RNA)
where:
Base-Base interactions energy: -33.442
where: short stacking energy: -25.476
Base-Backbone interact. energy: -0.285
local terms energy: -45.997518
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -79.061479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.061479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.061479 (E_RNA)
where:
Base-Base interactions energy: -25.887
where: short stacking energy: -23.918
Base-Backbone interact. energy: -0.208
local terms energy: -52.966538
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -9.213
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -79.157758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157758 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -31.952
Base-Backbone interact. energy: -0.017
local terms energy: -46.257878
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -224.936642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.936642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.936642 (E_RNA)
where:
Base-Base interactions energy: -146.221
where: short stacking energy: -73.591
Base-Backbone interact. energy: 0.104
local terms energy: -78.818728
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -219.952304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.952304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.952304 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -78.063
Base-Backbone interact. energy: -0.351
local terms energy: -74.949392
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -199.974574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.974574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.974574 (E_RNA)
where:
Base-Base interactions energy: -135.036
where: short stacking energy: -64.211
Base-Backbone interact. energy: -0.043
local terms energy: -64.895885
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.856
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: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -201.398849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.398849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.398849 (E_RNA)
where:
Base-Base interactions energy: -122.596
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.697
local terms energy: -78.105440
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -193.992694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.992694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.992694 (E_RNA)
where:
Base-Base interactions energy: -121.579
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.136
local terms energy: -72.277412
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -96.088012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.088012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.088012 (E_RNA)
where:
Base-Base interactions energy: -37.291
where: short stacking energy: -33.581
Base-Backbone interact. energy: 0.882
local terms energy: -59.679805
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -7.641
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: 4
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -100.789094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.789094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.789094 (E_RNA)
where:
Base-Base interactions energy: -33.872
where: short stacking energy: -27.892
Base-Backbone interact. energy: -0.256
local terms energy: -66.661002
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -85.504188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.504188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.504188 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -35.201
Base-Backbone interact. energy: -0.142
local terms energy: -50.161814
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -7.458
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: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -75.713125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.713125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.713125 (E_RNA)
where:
Base-Base interactions energy: -23.566
where: short stacking energy: -22.905
Base-Backbone interact. energy: -0.091
local terms energy: -52.055737
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -74.245185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.245185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.245185 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -24.343
Base-Backbone interact. energy: 1.018
local terms energy: -47.598465
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -9.770
flat angles P-C4'-P energy: -2.192
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -218.873406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.873406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.873406 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -65.309
Base-Backbone interact. energy: -0.018
local terms energy: -67.858200
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -16.026
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: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -213.857013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.857013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.857013 (E_RNA)
where:
Base-Base interactions energy: -136.190
where: short stacking energy: -69.508
Base-Backbone interact. energy: -0.082
local terms energy: -77.584281
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -225.409824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.409824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.409824 (E_RNA)
where:
Base-Base interactions energy: -143.477
where: short stacking energy: -77.055
Base-Backbone interact. energy: 0.342
local terms energy: -82.275016
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -23.260
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: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -204.377764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.377764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377764 (E_RNA)
where:
Base-Base interactions energy: -130.398
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.098
local terms energy: -73.881605
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -176.165564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.165564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.165564 (E_RNA)
where:
Base-Base interactions energy: -113.239
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.085
local terms energy: -62.842033
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -11.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -100.540155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.540155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.540155 (E_RNA)
where:
Base-Base interactions energy: -45.615
where: short stacking energy: -41.033
Base-Backbone interact. energy: -0.648
local terms energy: -54.277944
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -83.347229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.347229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.347229 (E_RNA)
where:
Base-Base interactions energy: -25.586
where: short stacking energy: -25.586
Base-Backbone interact. energy: -0.018
local terms energy: -57.742536
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -84.002712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.002712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.002712 (E_RNA)
where:
Base-Base interactions energy: -35.501
where: short stacking energy: -23.354
Base-Backbone interact. energy: -0.452
local terms energy: -48.049470
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.825645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.825645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.825645 (E_RNA)
where:
Base-Base interactions energy: -31.434
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.243
local terms energy: -55.149419
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -5.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -87.081961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.081961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.081961 (E_RNA)
where:
Base-Base interactions energy: -29.352
where: short stacking energy: -29.011
Base-Backbone interact. energy: -0.104
local terms energy: -57.626437
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -12.444
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -7.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -224.821652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.821652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.821652 (E_RNA)
where:
Base-Base interactions energy: -144.419
where: short stacking energy: -72.071
Base-Backbone interact. energy: -0.035
local terms energy: -80.368271
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -21.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -220.037486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.037486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.037486 (E_RNA)
where:
Base-Base interactions energy: -141.303
where: short stacking energy: -70.389
Base-Backbone interact. energy: -0.139
local terms energy: -78.594536
where:
bonds (distance) C4'-P energy: -14.135
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -19.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -209.833929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.833929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.833929 (E_RNA)
where:
Base-Base interactions energy: -141.810
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.313
local terms energy: -67.710349
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -213.651660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.651660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.651660 (E_RNA)
where:
Base-Base interactions energy: -142.702
where: short stacking energy: -69.592
Base-Backbone interact. energy: -0.457
local terms energy: -70.492161
where:
bonds (distance) C4'-P energy: -8.910
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -20.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -183.861405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.861405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.861405 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.112
local terms energy: -66.416565
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -104.397195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.397195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.397195 (E_RNA)
where:
Base-Base interactions energy: -43.573
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.223
local terms energy: -60.601034
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -88.228456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.228456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.228456 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -31.305
Base-Backbone interact. energy: -0.095
local terms energy: -56.828382
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -93.715029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.715029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.715029 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -30.935
Base-Backbone interact. energy: -0.262
local terms energy: -61.536950
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -87.351128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.351128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.351128 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.061
local terms energy: -54.751908
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -75.971327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.971327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.971327 (E_RNA)
where:
Base-Base interactions energy: -28.518
where: short stacking energy: -28.518
Base-Backbone interact. energy: 0.105
local terms energy: -47.558059
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -4.753
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -223.538009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.538009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.538009 (E_RNA)
where:
Base-Base interactions energy: -142.800
where: short stacking energy: -73.276
Base-Backbone interact. energy: -0.418
local terms energy: -80.319706
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -219.500019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.500019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.500019 (E_RNA)
where:
Base-Base interactions energy: -139.908
where: short stacking energy: -75.986
Base-Backbone interact. energy: -0.002
local terms energy: -79.589915
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -20.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -210.220677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.220677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.220677 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -76.700
Base-Backbone interact. energy: -0.010
local terms energy: -65.596602
where:
bonds (distance) C4'-P energy: -14.224
bonds (distance) P-C4' energy: -2.358
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -21.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -203.768941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.768941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.768941 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.012
local terms energy: -64.539499
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -5.919
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: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -190.395005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.395005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.395005 (E_RNA)
where:
Base-Base interactions energy: -125.046
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.455
local terms energy: -64.893425
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -95.424720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.424720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.424720 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -43.790
Base-Backbone interact. energy: -0.060
local terms energy: -47.381430
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -6.244
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: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -90.342013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.342013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.342013 (E_RNA)
where:
Base-Base interactions energy: -33.350
where: short stacking energy: -28.679
Base-Backbone interact. energy: -0.034
local terms energy: -56.958492
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -86.458376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.458376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.458376 (E_RNA)
where:
Base-Base interactions energy: -35.400
where: short stacking energy: -27.900
Base-Backbone interact. energy: -0.024
local terms energy: -51.034311
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -84.404554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.404554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.404554 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -35.287
Base-Backbone interact. energy: -0.222
local terms energy: -48.657485
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -0.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -70.307472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.307472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.307472 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.114
local terms energy: -45.388957
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -4.865
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: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -223.832200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.832200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.832200 (E_RNA)
where:
Base-Base interactions energy: -151.697
where: short stacking energy: -72.277
Base-Backbone interact. energy: 0.337
local terms energy: -72.472036
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -215.677602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.677602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.677602 (E_RNA)
where:
Base-Base interactions energy: -139.911
where: short stacking energy: -66.089
Base-Backbone interact. energy: -0.024
local terms energy: -75.741858
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -19.373
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: 6
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -212.794539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.794539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.794539 (E_RNA)
where:
Base-Base interactions energy: -140.660
where: short stacking energy: -70.968
Base-Backbone interact. energy: 0.941
local terms energy: -73.075428
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -215.339236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.339236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.339236 (E_RNA)
where:
Base-Base interactions energy: -147.033
where: short stacking energy: -72.984
Base-Backbone interact. energy: 3.470
local terms energy: -71.775570
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -190.019743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.019743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.019743 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -56.719
Base-Backbone interact. energy: -1.046
local terms energy: -61.202050
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -10.499
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: 6, replica: 10
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -98.393407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.393407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.393407 (E_RNA)
where:
Base-Base interactions energy: -39.708
where: short stacking energy: -35.234
Base-Backbone interact. energy: -0.194
local terms energy: -58.491989
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -6.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -86.753523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.753523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.753523 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -28.901
Base-Backbone interact. energy: 0.430
local terms energy: -51.399100
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -80.256552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256552 (E_RNA)
where:
Base-Base interactions energy: -37.148
where: short stacking energy: -37.148
Base-Backbone interact. energy: -1.062
local terms energy: -42.046393
where:
bonds (distance) C4'-P energy: -9.125
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: 2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -81.130687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.130687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.130687 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.218
local terms energy: -48.501155
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -70.360602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.360602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.360602 (E_RNA)
where:
Base-Base interactions energy: -24.481
where: short stacking energy: -19.444
Base-Backbone interact. energy: -0.116
local terms energy: -45.763583
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -0.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -224.028233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.028233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.028233 (E_RNA)
where:
Base-Base interactions energy: -148.001
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.079
local terms energy: -75.948012
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -211.086130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.086130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.086130 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -74.637
Base-Backbone interact. energy: -0.089
local terms energy: -73.159341
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -212.782019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.782019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.782019 (E_RNA)
where:
Base-Base interactions energy: -138.247
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.136
local terms energy: -74.398686
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -207.118799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.118799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.118799 (E_RNA)
where:
Base-Base interactions energy: -133.754
where: short stacking energy: -65.743
Base-Backbone interact. energy: -1.801
local terms energy: -71.563797
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.229
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -193.554684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.554684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.554684 (E_RNA)
where:
Base-Base interactions energy: -122.002
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.186
local terms energy: -71.366833
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -131.340971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.340971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.340971 (E_RNA)
where:
Base-Base interactions energy: -75.077
where: short stacking energy: -38.371
Base-Backbone interact. energy: -0.548
local terms energy: -55.715797
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -100.432503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.432503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.432503 (E_RNA)
where:
Base-Base interactions energy: -44.014
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.242
local terms energy: -56.176287
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.069
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: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -89.979114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.979114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.979114 (E_RNA)
where:
Base-Base interactions energy: -32.809
where: short stacking energy: -30.149
Base-Backbone interact. energy: -0.027
local terms energy: -57.143204
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -6.772
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: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -78.925814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.925814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.925814 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.173
local terms energy: -40.332502
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -8.018
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -4.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -82.123855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.123855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.123855 (E_RNA)
where:
Base-Base interactions energy: -30.927
where: short stacking energy: -30.927
Base-Backbone interact. energy: -0.027
local terms energy: -51.169504
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -222.989814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.989814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.989814 (E_RNA)
where:
Base-Base interactions energy: -143.878
where: short stacking energy: -72.233
Base-Backbone interact. energy: -0.268
local terms energy: -78.844087
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -217.994719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.994719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.994719 (E_RNA)
where:
Base-Base interactions energy: -137.068
where: short stacking energy: -74.234
Base-Backbone interact. energy: 0.232
local terms energy: -81.158739
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -21.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -211.017825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017825 (E_RNA)
where:
Base-Base interactions energy: -134.052
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.353
local terms energy: -76.612202
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.586
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: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -189.229210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.229210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.229210 (E_RNA)
where:
Base-Base interactions energy: -122.201
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.059
local terms energy: -66.969279
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.093
flat angles P-C4'-P energy: -10.715
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: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -154.072774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.072774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.072774 (E_RNA)
where:
Base-Base interactions energy: -102.117
where: short stacking energy: -58.909
Base-Backbone interact. energy: 0.365
local terms energy: -52.320833
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -3.781
tors. eta vs tors. theta energy: -14.273
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: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -134.861576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.861576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.861576 (E_RNA)
where:
Base-Base interactions energy: -76.686
where: short stacking energy: -40.106
Base-Backbone interact. energy: -0.510
local terms energy: -57.665700
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.108
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: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -96.386796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.386796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.386796 (E_RNA)
where:
Base-Base interactions energy: -30.835
where: short stacking energy: -30.835
Base-Backbone interact. energy: -0.083
local terms energy: -65.468958
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -72.728973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.728973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.728973 (E_RNA)
where:
Base-Base interactions energy: -19.823
where: short stacking energy: -12.069
Base-Backbone interact. energy: -0.270
local terms energy: -52.635488
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: 0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -76.463309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.463309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.463309 (E_RNA)
where:
Base-Base interactions energy: -25.240
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.150
local terms energy: -51.073426
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -1.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -73.176869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.176869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.176869 (E_RNA)
where:
Base-Base interactions energy: -30.889
where: short stacking energy: -30.477
Base-Backbone interact. energy: 0.234
local terms energy: -42.522139
where:
bonds (distance) C4'-P energy: -9.073
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -219.329312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.329312 (E_RNA)
where:
Base-Base interactions energy: -142.784
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.017
local terms energy: -76.528707
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -18.232
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: 149
Temperature: 0.950000
Total energy: -217.403310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.403310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.403310 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.444
local terms energy: -83.285186
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -218.384534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.384534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.384534 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -70.293
Base-Backbone interact. energy: -0.004
local terms energy: -78.096478
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -187.774216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.774216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.774216 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -62.460
Base-Backbone interact. energy: 0.311
local terms energy: -67.924651
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -150.225576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.225576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.225576 (E_RNA)
where:
Base-Base interactions energy: -85.876
where: short stacking energy: -46.404
Base-Backbone interact. energy: -1.587
local terms energy: -62.762880
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -142.518541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.518541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.518541 (E_RNA)
where:
Base-Base interactions energy: -85.926
where: short stacking energy: -48.032
Base-Backbone interact. energy: -0.198
local terms energy: -56.394566
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -11.034
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -7.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -95.922040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.922040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.922040 (E_RNA)
where:
Base-Base interactions energy: -40.385
where: short stacking energy: -40.309
Base-Backbone interact. energy: -0.579
local terms energy: -54.958409
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -2.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -90.229474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229474 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -29.985
Base-Backbone interact. energy: -0.497
local terms energy: -55.277642
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -3.960
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: 10
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -76.922186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.922186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.922186 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.411
local terms energy: -48.160453
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: 4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -75.532088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.532088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.532088 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -23.340
Base-Backbone interact. energy: -0.892
local terms energy: -40.351704
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: 2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -219.530357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.530357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.530357 (E_RNA)
where:
Base-Base interactions energy: -137.663
where: short stacking energy: -66.865
Base-Backbone interact. energy: -0.032
local terms energy: -81.835891
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -214.541715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.541715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.541715 (E_RNA)
where:
Base-Base interactions energy: -138.481
where: short stacking energy: -68.873
Base-Backbone interact. energy: -0.062
local terms energy: -75.998812
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -190.834423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.834423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.834423 (E_RNA)
where:
Base-Base interactions energy: -123.556
where: short stacking energy: -56.322
Base-Backbone interact. energy: -0.024
local terms energy: -67.254007
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -214.168041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.168041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.168041 (E_RNA)
where:
Base-Base interactions energy: -137.198
where: short stacking energy: -63.621
Base-Backbone interact. energy: 0.118
local terms energy: -77.088011
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -157.251044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.251044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.251044 (E_RNA)
where:
Base-Base interactions energy: -97.091
where: short stacking energy: -55.385
Base-Backbone interact. energy: -0.169
local terms energy: -59.991363
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -10.667
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -160.755195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.755195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.755195 (E_RNA)
where:
Base-Base interactions energy: -102.895
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.756
local terms energy: -57.103639
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -88.754986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.754986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.754986 (E_RNA)
where:
Base-Base interactions energy: -30.341
where: short stacking energy: -25.513
Base-Backbone interact. energy: -0.276
local terms energy: -58.138634
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -91.027261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.027261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.027261 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -33.442
Base-Backbone interact. energy: -1.136
local terms energy: -55.223032
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -8.492
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: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -86.773998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.773998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.773998 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -24.853
Base-Backbone interact. energy: -0.140
local terms energy: -50.400498
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -69.356361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.356361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.356361 (E_RNA)
where:
Base-Base interactions energy: -20.757
where: short stacking energy: -14.052
Base-Backbone interact. energy: -0.262
local terms energy: -48.337159
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: 1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -220.615089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615089 (E_RNA)
where:
Base-Base interactions energy: -141.053
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.126
local terms energy: -79.435390
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -217.325304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.325304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.325304 (E_RNA)
where:
Base-Base interactions energy: -139.156
where: short stacking energy: -69.776
Base-Backbone interact. energy: -0.923
local terms energy: -77.246782
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -14.777
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -191.184759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.184759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.184759 (E_RNA)
where:
Base-Base interactions energy: -119.145
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.145
local terms energy: -71.894990
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -200.116164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.116164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.116164 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -65.271
Base-Backbone interact. energy: -0.151
local terms energy: -67.080720
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -21.145
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: 4
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -174.091355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.091355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.091355 (E_RNA)
where:
Base-Base interactions energy: -112.149
where: short stacking energy: -51.092
Base-Backbone interact. energy: -0.261
local terms energy: -61.682139
where:
bonds (distance) C4'-P energy: -8.958
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -148.269277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.269277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.269277 (E_RNA)
where:
Base-Base interactions energy: -84.014
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.168
local terms energy: -64.087391
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -13.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -93.985751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.985751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.985751 (E_RNA)
where:
Base-Base interactions energy: -43.497
where: short stacking energy: -20.687
Base-Backbone interact. energy: 0.364
local terms energy: -50.853200
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -87.114835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.114835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.114835 (E_RNA)
where:
Base-Base interactions energy: -39.003
where: short stacking energy: -36.743
Base-Backbone interact. energy: -0.015
local terms energy: -48.096744
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -3.137
tors. eta vs tors. theta energy: -5.660
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: 7
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -77.553160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.553160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.553160 (E_RNA)
where:
Base-Base interactions energy: -30.964
where: short stacking energy: -21.026
Base-Backbone interact. energy: -0.251
local terms energy: -46.338399
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -71.637623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.637623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.637623 (E_RNA)
where:
Base-Base interactions energy: -15.109
where: short stacking energy: -15.109
Base-Backbone interact. energy: -0.123
local terms energy: -56.405622
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -221.048734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.048734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.048734 (E_RNA)
where:
Base-Base interactions energy: -145.566
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.346
local terms energy: -75.136848
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -17.904
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -218.869180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.869180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.869180 (E_RNA)
where:
Base-Base interactions energy: -138.813
where: short stacking energy: -70.363
Base-Backbone interact. energy: -0.026
local terms energy: -80.030615
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -211.420746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.420746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.420746 (E_RNA)
where:
Base-Base interactions energy: -140.465
where: short stacking energy: -67.976
Base-Backbone interact. energy: -0.226
local terms energy: -70.729822
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -19.712
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: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -184.929054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.929054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.929054 (E_RNA)
where:
Base-Base interactions energy: -117.101
where: short stacking energy: -59.341
Base-Backbone interact. energy: -0.131
local terms energy: -67.696331
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -9.539
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: 5, replica: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -194.453058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.453058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.453058 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.005
local terms energy: -63.345924
where:
bonds (distance) C4'-P energy: -5.934
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.791
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: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -132.642553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.642553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.642553 (E_RNA)
where:
Base-Base interactions energy: -79.867
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.049
local terms energy: -52.726051
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -83.851149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.851149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.851149 (E_RNA)
where:
Base-Base interactions energy: -33.082
where: short stacking energy: -32.604
Base-Backbone interact. energy: -0.148
local terms energy: -50.621896
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -83.029674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.029674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.029674 (E_RNA)
where:
Base-Base interactions energy: -36.521
where: short stacking energy: -36.521
Base-Backbone interact. energy: -0.005
local terms energy: -46.503227
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -5.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -98.209395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.209395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.209395 (E_RNA)
where:
Base-Base interactions energy: -33.703
where: short stacking energy: -33.703
Base-Backbone interact. energy: -0.151
local terms energy: -64.355143
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -10.543
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: 7
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -82.614572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.614572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.614572 (E_RNA)
where:
Base-Base interactions energy: -40.028
where: short stacking energy: -15.098
Base-Backbone interact. energy: -0.484
local terms energy: -42.102856
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -7.563
flat angles P-C4'-P energy: -7.847
tors. eta vs tors. theta energy: 0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -217.404711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.404711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.404711 (E_RNA)
where:
Base-Base interactions energy: -140.437
where: short stacking energy: -72.608
Base-Backbone interact. energy: -0.627
local terms energy: -76.341118
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -215.481049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.481049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.481049 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -73.061
Base-Backbone interact. energy: -1.462
local terms energy: -78.535217
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.312
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: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -220.631060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.631060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.631060 (E_RNA)
where:
Base-Base interactions energy: -142.578
where: short stacking energy: -70.834
Base-Backbone interact. energy: -0.001
local terms energy: -78.052964
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -203.129604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.129604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.129604 (E_RNA)
where:
Base-Base interactions energy: -130.900
where: short stacking energy: -60.186
Base-Backbone interact. energy: 1.632
local terms energy: -73.861577
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -175.855717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.855717 (E_RNA)
where:
Base-Base interactions energy: -103.216
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.494
local terms energy: -72.145290
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -136.459592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.459592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.459592 (E_RNA)
where:
Base-Base interactions energy: -82.191
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.004
local terms energy: -54.264723
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -4.173
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: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -84.225026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.225026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.225026 (E_RNA)
where:
Base-Base interactions energy: -28.161
where: short stacking energy: -18.670
Base-Backbone interact. energy: -0.244
local terms energy: -55.819218
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -9.305
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: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -96.486102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.486102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.486102 (E_RNA)
where:
Base-Base interactions energy: -50.539
where: short stacking energy: -35.974
Base-Backbone interact. energy: -0.242
local terms energy: -45.704462
where:
bonds (distance) C4'-P energy: -9.023
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -6.268
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: 3
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -84.299184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299184 (E_RNA)
where:
Base-Base interactions energy: -30.701
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.677
local terms energy: -52.920991
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -7.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -85.145399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.145399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.145399 (E_RNA)
where:
Base-Base interactions energy: -33.659
where: short stacking energy: -19.248
Base-Backbone interact. energy: 0.295
local terms energy: -51.781409
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -225.290734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.290734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.290734 (E_RNA)
where:
Base-Base interactions energy: -145.467
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.030
local terms energy: -79.794005
where:
bonds (distance) C4'-P energy: -12.519
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -24.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -218.624369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.624369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.624369 (E_RNA)
where:
Base-Base interactions energy: -140.099
where: short stacking energy: -73.432
Base-Backbone interact. energy: -0.614
local terms energy: -77.911522
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -21.087
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: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -211.094960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094960 (E_RNA)
where:
Base-Base interactions energy: -133.559
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.344
local terms energy: -77.191489
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -11.427
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: 4, replica: 9
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -212.492281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.492281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.492281 (E_RNA)
where:
Base-Base interactions energy: -146.340
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.333
local terms energy: -65.819117
where:
bonds (distance) C4'-P energy: -6.042
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -146.545916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.545916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.545916 (E_RNA)
where:
Base-Base interactions energy: -84.421
where: short stacking energy: -48.869
Base-Backbone interact. energy: -0.180
local terms energy: -61.944615
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -179.244104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.244104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.244104 (E_RNA)
where:
Base-Base interactions energy: -113.265
where: short stacking energy: -42.983
Base-Backbone interact. energy: -0.149
local terms energy: -65.830328
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -91.211751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.211751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.211751 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -32.769
Base-Backbone interact. energy: 0.771
local terms energy: -53.703067
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -7.403
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: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -97.963109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.963109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.963109 (E_RNA)
where:
Base-Base interactions energy: -41.044
where: short stacking energy: -41.044
Base-Backbone interact. energy: -0.142
local terms energy: -56.776649
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -93.640997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.640997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.640997 (E_RNA)
where:
Base-Base interactions energy: -38.387
where: short stacking energy: -23.287
Base-Backbone interact. energy: -0.093
local terms energy: -55.160358
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -75.268628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.268628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.268628 (E_RNA)
where:
Base-Base interactions energy: -23.945
where: short stacking energy: -17.733
Base-Backbone interact. energy: -0.261
local terms energy: -51.062018
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -224.187914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.187914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.187914 (E_RNA)
where:
Base-Base interactions energy: -137.734
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.610
local terms energy: -85.843175
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -215.803294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.803294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.803294 (E_RNA)
where:
Base-Base interactions energy: -142.383
where: short stacking energy: -76.632
Base-Backbone interact. energy: -0.034
local terms energy: -73.386077
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -21.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -194.903637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.903637 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.240
local terms energy: -70.547460
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -200.519952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.519952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.519952 (E_RNA)
where:
Base-Base interactions energy: -123.126
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.169
local terms energy: -77.224562
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -135.174455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.174455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.174455 (E_RNA)
where:
Base-Base interactions energy: -73.555
where: short stacking energy: -27.667
Base-Backbone interact. energy: -0.376
local terms energy: -61.243526
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.228
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: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -138.475878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.475878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.475878 (E_RNA)
where:
Base-Base interactions energy: -84.347
where: short stacking energy: -49.419
Base-Backbone interact. energy: -0.008
local terms energy: -54.120259
where:
bonds (distance) C4'-P energy: -8.822
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -10.500
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: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -102.934416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.934416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.934416 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.151
local terms energy: -59.085283
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -12.649
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: 155
Temperature: 1.250000
Total energy: -80.659646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.659646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.659646 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -27.141
Base-Backbone interact. energy: 0.785
local terms energy: -49.396817
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -84.861091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861091 (E_RNA)
where:
Base-Base interactions energy: -32.049
where: short stacking energy: -26.241
Base-Backbone interact. energy: -0.479
local terms energy: -52.332175
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -3.578
tors. eta vs tors. theta energy: -5.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -76.284051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.284051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.284051 (E_RNA)
where:
Base-Base interactions energy: -29.335
where: short stacking energy: -29.335
Base-Backbone interact. energy: -0.058
local terms energy: -46.891751
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -221.664412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.664412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.664412 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -75.905
Base-Backbone interact. energy: 1.085
local terms energy: -77.467964
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -20.664
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: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -215.888048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.888048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.888048 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.005
local terms energy: -77.121232
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -223.010319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.010319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.010319 (E_RNA)
where:
Base-Base interactions energy: -145.121
where: short stacking energy: -71.524
Base-Backbone interact. energy: -0.111
local terms energy: -77.778616
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -21.063
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -208.620523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.620523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.620523 (E_RNA)
where:
Base-Base interactions energy: -131.664
where: short stacking energy: -67.477
Base-Backbone interact. energy: -0.580
local terms energy: -76.376102
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -20.622
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: 156
Temperature: 1.100000
Total energy: -148.404697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.404697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.404697 (E_RNA)
where:
Base-Base interactions energy: -87.519
where: short stacking energy: -50.791
Base-Backbone interact. energy: -0.110
local terms energy: -60.776529
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -9.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -128.514322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.514322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.514322 (E_RNA)
where:
Base-Base interactions energy: -76.042
where: short stacking energy: -33.102
Base-Backbone interact. energy: -0.188
local terms energy: -52.284818
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -104.006950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.006950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.006950 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -38.134
Base-Backbone interact. energy: -0.025
local terms energy: -63.174311
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -12.086
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: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -82.368483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.368483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.368483 (E_RNA)
where:
Base-Base interactions energy: -26.530
where: short stacking energy: -26.530
Base-Backbone interact. energy: -0.878
local terms energy: -54.960535
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -6.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -92.708870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.708870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.708870 (E_RNA)
where:
Base-Base interactions energy: -40.376
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.199
local terms energy: -52.133783
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -80.437317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.437317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.437317 (E_RNA)
where:
Base-Base interactions energy: -29.992
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.227
local terms energy: -50.218150
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -220.228129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.228129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.228129 (E_RNA)
where:
Base-Base interactions energy: -141.133
where: short stacking energy: -70.695
Base-Backbone interact. energy: -0.907
local terms energy: -78.187246
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -21.849
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -217.303357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.303357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.303357 (E_RNA)
where:
Base-Base interactions energy: -134.772
where: short stacking energy: -73.175
Base-Backbone interact. energy: -0.165
local terms energy: -82.366518
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -208.725798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.725798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.725798 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.002
local terms energy: -71.712609
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -6.925
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: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -143.220408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.220408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.220408 (E_RNA)
where:
Base-Base interactions energy: -85.347
where: short stacking energy: -49.666
Base-Backbone interact. energy: -0.052
local terms energy: -57.821001
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.590
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -194.160529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160529 (E_RNA)
where:
Base-Base interactions energy: -122.406
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.614
local terms energy: -71.140953
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -130.241175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.241175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.241175 (E_RNA)
where:
Base-Base interactions energy: -68.392
where: short stacking energy: -41.428
Base-Backbone interact. energy: -0.032
local terms energy: -61.817208
where:
bonds (distance) C4'-P energy: -9.103
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -91.913143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.913143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.913143 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.192
local terms energy: -61.057803
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -89.406191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406191 (E_RNA)
where:
Base-Base interactions energy: -30.724
where: short stacking energy: -30.724
Base-Backbone interact. energy: -0.012
local terms energy: -58.669738
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -3.675
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: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -87.721004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.721004 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -35.341
Base-Backbone interact. energy: -0.225
local terms energy: -50.894721
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.389565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389565 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -33.343
Base-Backbone interact. energy: -0.107
local terms energy: -49.226577
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -8.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -215.890976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.890976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.890976 (E_RNA)
where:
Base-Base interactions energy: -141.097
where: short stacking energy: -73.499
Base-Backbone interact. energy: 0.025
local terms energy: -74.818446
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -18.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -216.348122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.348122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.348122 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -66.732
Base-Backbone interact. energy: -0.035
local terms energy: -80.672943
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -11.249
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: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -219.041399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.041399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.041399 (E_RNA)
where:
Base-Base interactions energy: -136.841
where: short stacking energy: -70.477
Base-Backbone interact. energy: -0.007
local terms energy: -82.193685
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -23.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -210.545435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.545435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.545435 (E_RNA)
where:
Base-Base interactions energy: -130.090
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.303
local terms energy: -80.152517
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -22.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -205.897606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.897606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.897606 (E_RNA)
where:
Base-Base interactions energy: -133.460
where: short stacking energy: -66.735
Base-Backbone interact. energy: -0.080
local terms energy: -72.357898
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -127.773182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.773182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.773182 (E_RNA)
where:
Base-Base interactions energy: -70.300
where: short stacking energy: -45.792
Base-Backbone interact. energy: 0.292
local terms energy: -57.764622
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -6.473
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: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -92.535195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535195 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -35.904
Base-Backbone interact. energy: -0.085
local terms energy: -51.083341
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -87.814275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.814275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.814275 (E_RNA)
where:
Base-Base interactions energy: -42.097
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.047
local terms energy: -45.670168
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.849
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: 9, replica: 3
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -82.254494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.254494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.254494 (E_RNA)
where:
Base-Base interactions energy: -34.857
where: short stacking energy: -34.857
Base-Backbone interact. energy: 1.065
local terms energy: -48.462445
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -82.682048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.682048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.682048 (E_RNA)
where:
Base-Base interactions energy: -33.832
where: short stacking energy: -28.288
Base-Backbone interact. energy: -1.752
local terms energy: -47.097966
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -8.190
flat angles P-C4'-P energy: -8.801
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: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -219.587032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587032 (E_RNA)
where:
Base-Base interactions energy: -142.804
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.022
local terms energy: -76.760246
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -205.172239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.172239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.172239 (E_RNA)
where:
Base-Base interactions energy: -134.884
where: short stacking energy: -67.376
Base-Backbone interact. energy: -0.084
local terms energy: -70.203412
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.734
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: 3, replica: 2
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -209.606207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.606207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.606207 (E_RNA)
where:
Base-Base interactions energy: -136.504
where: short stacking energy: -66.963
Base-Backbone interact. energy: -0.013
local terms energy: -73.089340
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -17.551
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: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -202.984293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.984293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.984293 (E_RNA)
where:
Base-Base interactions energy: -130.209
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.090
local terms energy: -72.685880
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -18.807
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: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -195.294668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.294668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294668 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.054
local terms energy: -66.368177
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -9.786
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: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -145.344024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.344024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.344024 (E_RNA)
where:
Base-Base interactions energy: -84.225
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.180
local terms energy: -60.938670
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -84.446122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.446122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.446122 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -28.911
Base-Backbone interact. energy: 1.681
local terms energy: -57.215936
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -95.145420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.145420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.145420 (E_RNA)
where:
Base-Base interactions energy: -45.689
where: short stacking energy: -45.689
Base-Backbone interact. energy: -0.121
local terms energy: -49.335651
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -4.986
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -86.760851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.760851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.760851 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -26.386
Base-Backbone interact. energy: -0.077
local terms energy: -52.723288
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -8.301
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: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -70.141345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.141345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.141345 (E_RNA)
where:
Base-Base interactions energy: -29.094
where: short stacking energy: -12.229
Base-Backbone interact. energy: -0.351
local terms energy: -40.696579
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: 7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -218.770638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.770638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.770638 (E_RNA)
where:
Base-Base interactions energy: -140.554
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.073
local terms energy: -78.142902
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -16.877
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: 9
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -217.544439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.544439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.544439 (E_RNA)
where:
Base-Base interactions energy: -138.768
where: short stacking energy: -75.750
Base-Backbone interact. energy: -0.002
local terms energy: -78.773957
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -206.451658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.451658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.451658 (E_RNA)
where:
Base-Base interactions energy: -128.470
where: short stacking energy: -62.523
Base-Backbone interact. energy: -0.787
local terms energy: -77.195128
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -202.797062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.797062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.797062 (E_RNA)
where:
Base-Base interactions energy: -136.386
where: short stacking energy: -64.426
Base-Backbone interact. energy: -0.233
local terms energy: -66.178535
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -190.556643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.556643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556643 (E_RNA)
where:
Base-Base interactions energy: -126.934
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.009
local terms energy: -63.612891
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -19.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -148.144652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.144652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.144652 (E_RNA)
where:
Base-Base interactions energy: -85.530
where: short stacking energy: -53.797
Base-Backbone interact. energy: -0.059
local terms energy: -62.555539
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -13.582
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -93.476159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.476159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.476159 (E_RNA)
where:
Base-Base interactions energy: -35.406
where: short stacking energy: -30.761
Base-Backbone interact. energy: -0.101
local terms energy: -57.969283
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -83.657687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657687 (E_RNA)
where:
Base-Base interactions energy: -29.588
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.362
local terms energy: -53.707332
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -9.952
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -2.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -74.354386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.354386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.354386 (E_RNA)
where:
Base-Base interactions energy: -27.804
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.100
local terms energy: -46.450557
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.098404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.098404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.098404 (E_RNA)
where:
Base-Base interactions energy: -29.246
where: short stacking energy: -24.482
Base-Backbone interact. energy: -0.755
local terms energy: -51.096940
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -211.770971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.770971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.770971 (E_RNA)
where:
Base-Base interactions energy: -135.364
where: short stacking energy: -68.066
Base-Backbone interact. energy: -0.015
local terms energy: -76.391997
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -217.362509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.362509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.362509 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -65.585
Base-Backbone interact. energy: 0.920
local terms energy: -79.509051
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -20.711
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: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -202.404982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.404982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.404982 (E_RNA)
where:
Base-Base interactions energy: -138.829
where: short stacking energy: -57.868
Base-Backbone interact. energy: -1.174
local terms energy: -62.401245
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.791
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: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -197.764930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.764930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.764930 (E_RNA)
where:
Base-Base interactions energy: -122.653
where: short stacking energy: -60.868
Base-Backbone interact. energy: -0.163
local terms energy: -74.948606
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -18.181
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -206.633186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.633186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.633186 (E_RNA)
where:
Base-Base interactions energy: -135.562
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.573
local terms energy: -70.498596
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -99.544613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.544613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.544613 (E_RNA)
where:
Base-Base interactions energy: -41.508
where: short stacking energy: -40.637
Base-Backbone interact. energy: -0.025
local terms energy: -58.011874
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -134.910546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.910546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.910546 (E_RNA)
where:
Base-Base interactions energy: -73.929
where: short stacking energy: -37.132
Base-Backbone interact. energy: 0.481
local terms energy: -61.462512
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -86.484394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.484394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.484394 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -21.963
Base-Backbone interact. energy: -0.087
local terms energy: -50.321637
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -7.367
tors. eta vs tors. theta energy: 0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -76.113046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.113046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.113046 (E_RNA)
where:
Base-Base interactions energy: -23.881
where: short stacking energy: -17.538
Base-Backbone interact. energy: -1.031
local terms energy: -51.201274
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -89.232413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232413 (E_RNA)
where:
Base-Base interactions energy: -28.752
where: short stacking energy: -28.752
Base-Backbone interact. energy: -0.034
local terms energy: -60.446560
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -228.284470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.284470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.284470 (E_RNA)
where:
Base-Base interactions energy: -148.689
where: short stacking energy: -75.384
Base-Backbone interact. energy: -0.010
local terms energy: -79.585394
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -218.533987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.533987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.533987 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.319
local terms energy: -79.174661
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -12.927
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: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -207.120832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.120832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120832 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.026
local terms energy: -71.077309
where:
bonds (distance) C4'-P energy: -17.418
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -195.546713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.546713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.546713 (E_RNA)
where:
Base-Base interactions energy: -124.783
where: short stacking energy: -61.177
Base-Backbone interact. energy: 1.307
local terms energy: -72.070936
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -17.916
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: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -204.969427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.969427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.969427 (E_RNA)
where:
Base-Base interactions energy: -140.879
where: short stacking energy: -66.809
Base-Backbone interact. energy: 1.521
local terms energy: -65.611771
where:
bonds (distance) C4'-P energy: -7.337
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -90.039647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.039647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.039647 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -30.807
Base-Backbone interact. energy: -0.238
local terms energy: -55.189004
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -82.052503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.052503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.052503 (E_RNA)
where:
Base-Base interactions energy: -28.936
where: short stacking energy: -17.634
Base-Backbone interact. energy: -0.196
local terms energy: -52.920853
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -113.918222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.918222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.918222 (E_RNA)
where:
Base-Base interactions energy: -47.528
where: short stacking energy: -21.819
Base-Backbone interact. energy: -1.128
local terms energy: -65.262513
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -10.779
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: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -81.619244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.619244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.619244 (E_RNA)
where:
Base-Base interactions energy: -28.722
where: short stacking energy: -19.424
Base-Backbone interact. energy: -0.088
local terms energy: -52.809109
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -91.634874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.634874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.634874 (E_RNA)
where:
Base-Base interactions energy: -51.101
where: short stacking energy: -29.589
Base-Backbone interact. energy: -0.803
local terms energy: -39.731161
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -1.985
tors. eta vs tors. theta energy: -2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -226.239819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.239819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.239819 (E_RNA)
where:
Base-Base interactions energy: -147.045
where: short stacking energy: -79.603
Base-Backbone interact. energy: -0.008
local terms energy: -79.187031
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -24.051
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -219.476521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.476521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476521 (E_RNA)
where:
Base-Base interactions energy: -145.462
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.004
local terms energy: -74.011220
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -212.634148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.634148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634148 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.003
local terms energy: -79.456437
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -14.184
tors. eta vs tors. theta energy: -22.229
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: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -204.589099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.589099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.589099 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -64.228
Base-Backbone interact. energy: 0.576
local terms energy: -73.335670
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -199.520228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.520228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.520228 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.719
local terms energy: -71.807120
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -87.210394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.210394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.210394 (E_RNA)
where:
Base-Base interactions energy: -37.414
where: short stacking energy: -37.414
Base-Backbone interact. energy: -0.015
local terms energy: -49.781572
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -3.091
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -96.424264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.424264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.424264 (E_RNA)
where:
Base-Base interactions energy: -48.559
where: short stacking energy: -26.021
Base-Backbone interact. energy: 0.735
local terms energy: -48.599921
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -4.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -116.562729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.562729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.562729 (E_RNA)
where:
Base-Base interactions energy: -59.810
where: short stacking energy: -32.568
Base-Backbone interact. energy: -0.048
local terms energy: -56.704934
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -89.131849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.131849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.131849 (E_RNA)
where:
Base-Base interactions energy: -42.170
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.156
local terms energy: -46.805678
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -5.219
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: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -77.689733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.689733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.689733 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -27.495
Base-Backbone interact. energy: -0.168
local terms energy: -50.026924
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -10.202
flat angles P-C4'-P energy: -9.183
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: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -222.292107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.292107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.292107 (E_RNA)
where:
Base-Base interactions energy: -145.174
where: short stacking energy: -73.150
Base-Backbone interact. energy: 0.079
local terms energy: -77.197315
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -9.964
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -220.270169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.270169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.270169 (E_RNA)
where:
Base-Base interactions energy: -144.699
where: short stacking energy: -76.489
Base-Backbone interact. energy: -0.054
local terms energy: -75.516951
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -12.983
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -214.370492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.370492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.370492 (E_RNA)
where:
Base-Base interactions energy: -132.086
where: short stacking energy: -64.335
Base-Backbone interact. energy: -0.718
local terms energy: -81.566741
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -192.791816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.791816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.791816 (E_RNA)
where:
Base-Base interactions energy: -119.818
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.128
local terms energy: -72.845272
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -192.724388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.724388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.724388 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.664
local terms energy: -70.681770
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -116.857372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.857372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.857372 (E_RNA)
where:
Base-Base interactions energy: -55.754
where: short stacking energy: -38.042
Base-Backbone interact. energy: -0.000
local terms energy: -61.103337
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.237
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -94.966735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.966735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.966735 (E_RNA)
where:
Base-Base interactions energy: -45.042
where: short stacking energy: -34.645
Base-Backbone interact. energy: -0.309
local terms energy: -49.615099
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -8.784
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -105.166473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.166473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.166473 (E_RNA)
where:
Base-Base interactions energy: -45.522
where: short stacking energy: -44.907
Base-Backbone interact. energy: -0.284
local terms energy: -59.360623
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -70.529203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.529203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.529203 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -26.466
Base-Backbone interact. energy: -0.086
local terms energy: -40.094176
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: 3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -76.739423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.739423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.739423 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -34.301
Base-Backbone interact. energy: -0.065
local terms energy: -42.373480
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -5.767
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -6.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -219.466717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.466717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.466717 (E_RNA)
where:
Base-Base interactions energy: -137.768
where: short stacking energy: -70.958
Base-Backbone interact. energy: 0.354
local terms energy: -82.051851
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -22.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -212.428609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.428609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428609 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -70.599
Base-Backbone interact. energy: -0.351
local terms energy: -81.018964
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -206.454147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.454147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.454147 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -68.402
Base-Backbone interact. energy: -0.031
local terms energy: -68.779755
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -192.225349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.225349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.225349 (E_RNA)
where:
Base-Base interactions energy: -124.243
where: short stacking energy: -62.358
Base-Backbone interact. energy: -0.454
local terms energy: -67.527987
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -194.051960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.051960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.051960 (E_RNA)
where:
Base-Base interactions energy: -130.663
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.027
local terms energy: -63.361403
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -103.020411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.020411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.020411 (E_RNA)
where:
Base-Base interactions energy: -43.482
where: short stacking energy: -26.238
Base-Backbone interact. energy: -1.098
local terms energy: -58.439617
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -4.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -85.677519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.677519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.677519 (E_RNA)
where:
Base-Base interactions energy: -28.888
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.095
local terms energy: -56.693913
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -13.076
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: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -77.637740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.637740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.637740 (E_RNA)
where:
Base-Base interactions energy: -33.837
where: short stacking energy: -29.063
Base-Backbone interact. energy: -1.060
local terms energy: -42.741167
where:
bonds (distance) C4'-P energy: -7.119
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -84.248346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.248346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.248346 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -27.276
Base-Backbone interact. energy: -0.009
local terms energy: -56.964004
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -3.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -77.722561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.722561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.722561 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -12.123
Base-Backbone interact. energy: 0.399
local terms energy: -45.141581
where:
bonds (distance) C4'-P energy: -7.440
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -8.224
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: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -222.547599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.547599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.547599 (E_RNA)
where:
Base-Base interactions energy: -142.993
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.031
local terms energy: -79.523399
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -212.318166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.318166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.318166 (E_RNA)
where:
Base-Base interactions energy: -135.482
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.194
local terms energy: -76.642283
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -190.057143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.057143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.057143 (E_RNA)
where:
Base-Base interactions energy: -115.424
where: short stacking energy: -53.376
Base-Backbone interact. energy: -0.032
local terms energy: -74.600873
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -6.984
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: 4, replica: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -204.627704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.627704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.627704 (E_RNA)
where:
Base-Base interactions energy: -129.731
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.726
local terms energy: -74.171314
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -192.241179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.241179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.241179 (E_RNA)
where:
Base-Base interactions energy: -127.150
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.046
local terms energy: -65.045431
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -109.182051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.182051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.182051 (E_RNA)
where:
Base-Base interactions energy: -56.909
where: short stacking energy: -27.020
Base-Backbone interact. energy: -0.057
local terms energy: -52.216135
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -94.810313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810313 (E_RNA)
where:
Base-Base interactions energy: -41.851
where: short stacking energy: -32.471
Base-Backbone interact. energy: -1.424
local terms energy: -51.534563
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -79.264801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.264801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.264801 (E_RNA)
where:
Base-Base interactions energy: -28.789
where: short stacking energy: -28.789
Base-Backbone interact. energy: 0.741
local terms energy: -51.216516
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -81.235980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235980 (E_RNA)
where:
Base-Base interactions energy: -34.308
where: short stacking energy: -26.997
Base-Backbone interact. energy: -0.234
local terms energy: -46.693914
where:
bonds (distance) C4'-P energy: -9.234
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -95.508433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.508433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.508433 (E_RNA)
where:
Base-Base interactions energy: -54.417
where: short stacking energy: -30.278
Base-Backbone interact. energy: 1.003
local terms energy: -42.094667
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -8.398
flat angles C4'-P-C4' energy: -6.043
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -8.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -223.244243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.244243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.244243 (E_RNA)
where:
Base-Base interactions energy: -141.238
where: short stacking energy: -77.024
Base-Backbone interact. energy: -0.557
local terms energy: -81.449524
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -23.023
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: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -205.215647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.215647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.215647 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -61.322
Base-Backbone interact. energy: 1.317
local terms energy: -74.870649
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -209.456257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.456257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.456257 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.010
local terms energy: -73.849154
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -202.409219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.409219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.409219 (E_RNA)
where:
Base-Base interactions energy: -127.619
where: short stacking energy: -65.993
Base-Backbone interact. energy: -0.039
local terms energy: -74.751375
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -199.787952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.787952 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.167
local terms energy: -61.357089
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -10.359
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -102.773375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.773375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.773375 (E_RNA)
where:
Base-Base interactions energy: -46.774
where: short stacking energy: -26.667
Base-Backbone interact. energy: -0.665
local terms energy: -55.333817
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -100.911050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.911050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.911050 (E_RNA)
where:
Base-Base interactions energy: -42.882
where: short stacking energy: -41.759
Base-Backbone interact. energy: -0.005
local terms energy: -58.024170
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.255
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: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -94.930316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.930316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.930316 (E_RNA)
where:
Base-Base interactions energy: -44.177
where: short stacking energy: -41.751
Base-Backbone interact. energy: 2.113
local terms energy: -52.866623
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -76.620376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.620376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.620376 (E_RNA)
where:
Base-Base interactions energy: -24.204
where: short stacking energy: -24.204
Base-Backbone interact. energy: -0.004
local terms energy: -52.412744
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -86.484412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.484412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.484412 (E_RNA)
where:
Base-Base interactions energy: -37.028
where: short stacking energy: -14.558
Base-Backbone interact. energy: -0.229
local terms energy: -49.227223
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: 2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -217.449588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.449588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.449588 (E_RNA)
where:
Base-Base interactions energy: -144.121
where: short stacking energy: -65.571
Base-Backbone interact. energy: -1.054
local terms energy: -72.273862
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.687
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: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -209.719332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719332 (E_RNA)
where:
Base-Base interactions energy: -134.898
where: short stacking energy: -68.076
Base-Backbone interact. energy: 0.845
local terms energy: -75.666595
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -213.360754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.360754 (E_RNA)
where:
Base-Base interactions energy: -143.456
where: short stacking energy: -74.157
Base-Backbone interact. energy: -0.020
local terms energy: -69.884836
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -19.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -197.852861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.852861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.852861 (E_RNA)
where:
Base-Base interactions energy: -125.817
where: short stacking energy: -56.880
Base-Backbone interact. energy: -1.029
local terms energy: -71.007152
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -177.560564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.560564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.560564 (E_RNA)
where:
Base-Base interactions energy: -108.962
where: short stacking energy: -54.288
Base-Backbone interact. energy: -1.825
local terms energy: -66.773990
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -94.408293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.408293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.408293 (E_RNA)
where:
Base-Base interactions energy: -30.759
where: short stacking energy: -30.759
Base-Backbone interact. energy: -0.013
local terms energy: -63.637207
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -6.246
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -88.050004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.050004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.050004 (E_RNA)
where:
Base-Base interactions energy: -35.941
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.002
local terms energy: -52.107885
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -4.800
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: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -89.560332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.560332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.560332 (E_RNA)
where:
Base-Base interactions energy: -42.708
where: short stacking energy: -25.062
Base-Backbone interact. energy: -0.634
local terms energy: -46.217775
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -4.622
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -0.131
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -79.682958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.682958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.682958 (E_RNA)
where:
Base-Base interactions energy: -34.243
where: short stacking energy: -12.931
Base-Backbone interact. energy: -0.676
local terms energy: -44.763887
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 5.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -89.316239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.316239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.316239 (E_RNA)
where:
Base-Base interactions energy: -38.982
where: short stacking energy: -24.352
Base-Backbone interact. energy: -0.692
local terms energy: -49.642699
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -207.071041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.071041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.071041 (E_RNA)
where:
Base-Base interactions energy: -135.275
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.102
local terms energy: -71.694362
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -15.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -215.925770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.925770 (E_RNA)
where:
Base-Base interactions energy: -138.016
where: short stacking energy: -71.845
Base-Backbone interact. energy: -0.013
local terms energy: -77.896514
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -212.758276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.758276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.758276 (E_RNA)
where:
Base-Base interactions energy: -140.616
where: short stacking energy: -72.310
Base-Backbone interact. energy: 0.979
local terms energy: -73.121636
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -19.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -196.094311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.094311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.094311 (E_RNA)
where:
Base-Base interactions energy: -129.732
where: short stacking energy: -62.764
Base-Backbone interact. energy: -0.018
local terms energy: -66.344580
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -187.574211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.574211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.574211 (E_RNA)
where:
Base-Base interactions energy: -119.167
where: short stacking energy: -58.611
Base-Backbone interact. energy: -0.040
local terms energy: -68.367620
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -11.868
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -139.955004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.955004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.955004 (E_RNA)
where:
Base-Base interactions energy: -75.895
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.112
local terms energy: -63.948017
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -8.564
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: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -85.922461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.922461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.922461 (E_RNA)
where:
Base-Base interactions energy: -39.176
where: short stacking energy: -38.687
Base-Backbone interact. energy: -0.102
local terms energy: -46.643797
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -85.031273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031273 (E_RNA)
where:
Base-Base interactions energy: -34.859
where: short stacking energy: -34.859
Base-Backbone interact. energy: -0.039
local terms energy: -50.132878
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -4.799
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -99.398173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.398173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.398173 (E_RNA)
where:
Base-Base interactions energy: -49.288
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.871
local terms energy: -49.239790
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.061
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: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -75.960753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.960753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.960753 (E_RNA)
where:
Base-Base interactions energy: -28.188
where: short stacking energy: -12.482
Base-Backbone interact. energy: 1.357
local terms energy: -49.129456
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: 2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -219.401958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.401958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.401958 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -69.747
Base-Backbone interact. energy: -0.916
local terms energy: -77.594543
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -13.348
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: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -216.342791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342791 (E_RNA)
where:
Base-Base interactions energy: -139.164
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.076
local terms energy: -77.103606
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -215.124592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.124592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.124592 (E_RNA)
where:
Base-Base interactions energy: -136.567
where: short stacking energy: -71.050
Base-Backbone interact. energy: 0.198
local terms energy: -78.755172
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -211.331072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.331072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.331072 (E_RNA)
where:
Base-Base interactions energy: -132.233
where: short stacking energy: -67.954
Base-Backbone interact. energy: -0.435
local terms energy: -78.663073
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -18.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -160.606139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.606139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.606139 (E_RNA)
where:
Base-Base interactions energy: -101.990
where: short stacking energy: -58.384
Base-Backbone interact. energy: 0.352
local terms energy: -58.967719
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -137.925618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.925618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.925618 (E_RNA)
where:
Base-Base interactions energy: -81.588
where: short stacking energy: -44.864
Base-Backbone interact. energy: 0.851
local terms energy: -57.188191
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -5.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -102.872799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.872799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.872799 (E_RNA)
where:
Base-Base interactions energy: -48.680
where: short stacking energy: -48.680
Base-Backbone interact. energy: -0.117
local terms energy: -54.075113
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -8.152
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: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -92.161242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.161242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.161242 (E_RNA)
where:
Base-Base interactions energy: -34.217
where: short stacking energy: -33.590
Base-Backbone interact. energy: 0.936
local terms energy: -58.880626
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -83.578228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.578228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.578228 (E_RNA)
where:
Base-Base interactions energy: -34.925
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.107
local terms energy: -48.545597
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -7.066
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -113.253772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.253772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.253772 (E_RNA)
where:
Base-Base interactions energy: -67.006
where: short stacking energy: -36.852
Base-Backbone interact. energy: 2.104
local terms energy: -48.351884
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -7.118
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: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -217.737096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.737096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.737096 (E_RNA)
where:
Base-Base interactions energy: -139.323
where: short stacking energy: -75.141
Base-Backbone interact. energy: -0.013
local terms energy: -78.401513
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -14.036
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: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -218.639729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.639729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.639729 (E_RNA)
where:
Base-Base interactions energy: -142.962
where: short stacking energy: -76.734
Base-Backbone interact. energy: -0.003
local terms energy: -75.675172
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -10.945
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -215.761674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.761674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.761674 (E_RNA)
where:
Base-Base interactions energy: -143.575
where: short stacking energy: -70.720
Base-Backbone interact. energy: -1.259
local terms energy: -70.927677
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -16.747
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: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -209.520299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.520299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.520299 (E_RNA)
where:
Base-Base interactions energy: -134.969
where: short stacking energy: -66.793
Base-Backbone interact. energy: -0.054
local terms energy: -74.496882
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -13.466
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: 5, replica: 10
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -150.246380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.246380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.246380 (E_RNA)
where:
Base-Base interactions energy: -93.559
where: short stacking energy: -54.696
Base-Backbone interact. energy: 0.488
local terms energy: -57.175696
where:
bonds (distance) C4'-P energy: -8.150
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -153.946853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.946853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.946853 (E_RNA)
where:
Base-Base interactions energy: -85.768
where: short stacking energy: -46.703
Base-Backbone interact. energy: -0.164
local terms energy: -68.014079
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -91.524661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524661 (E_RNA)
where:
Base-Base interactions energy: -45.794
where: short stacking energy: -35.195
Base-Backbone interact. energy: 0.525
local terms energy: -46.255615
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -4.794
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: -8.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -99.833159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.833159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.833159 (E_RNA)
where:
Base-Base interactions energy: -45.966
where: short stacking energy: -43.259
Base-Backbone interact. energy: 0.472
local terms energy: -54.339874
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -82.308755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.308755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.308755 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.083
local terms energy: -54.408349
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -96.811678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.811678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.811678 (E_RNA)
where:
Base-Base interactions energy: -51.397
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.012
local terms energy: -45.402885
where:
bonds (distance) C4'-P energy: -7.368
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -2.181
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -220.462595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.462595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.462595 (E_RNA)
where:
Base-Base interactions energy: -140.246
where: short stacking energy: -71.578
Base-Backbone interact. energy: 0.954
local terms energy: -81.171322
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -218.807308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.807308 (E_RNA)
where:
Base-Base interactions energy: -136.903
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.104
local terms energy: -81.799960
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -212.420619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.420619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.420619 (E_RNA)
where:
Base-Base interactions energy: -136.168
where: short stacking energy: -69.247
Base-Backbone interact. energy: -0.018
local terms energy: -76.234892
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -212.948320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948320 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -73.652
Base-Backbone interact. energy: -0.057
local terms energy: -74.777954
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -12.164
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: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -151.023825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.023825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.023825 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -60.926
Base-Backbone interact. energy: 0.740
local terms energy: -54.455296
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -12.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -136.160139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.160139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.160139 (E_RNA)
where:
Base-Base interactions energy: -80.725
where: short stacking energy: -38.236
Base-Backbone interact. energy: -0.094
local terms energy: -55.340897
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -5.005
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -91.415212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.415212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.415212 (E_RNA)
where:
Base-Base interactions energy: -44.898
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.010
local terms energy: -46.507311
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -81.193323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.193323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.193323 (E_RNA)
where:
Base-Base interactions energy: -25.151
where: short stacking energy: -25.151
Base-Backbone interact. energy: -0.017
local terms energy: -56.024727
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -83.601259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.601259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.601259 (E_RNA)
where:
Base-Base interactions energy: -24.081
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.376
local terms energy: -59.144806
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -73.805568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.805568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.805568 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.762
Base-Backbone interact. energy: -0.265
local terms energy: -45.717748
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -7.454
flat angles P-C4'-P energy: -7.436
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: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -225.813479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.813479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.813479 (E_RNA)
where:
Base-Base interactions energy: -143.594
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.083
local terms energy: -82.136733
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -23.744
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: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -216.330737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.330737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.330737 (E_RNA)
where:
Base-Base interactions energy: -141.113
where: short stacking energy: -72.012
Base-Backbone interact. energy: -0.010
local terms energy: -75.207071
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -211.794307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.794307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.794307 (E_RNA)
where:
Base-Base interactions energy: -137.091
where: short stacking energy: -68.698
Base-Backbone interact. energy: 0.984
local terms energy: -75.687163
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -10.409
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: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -214.281551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.281551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.281551 (E_RNA)
where:
Base-Base interactions energy: -136.592
where: short stacking energy: -70.176
Base-Backbone interact. energy: -1.003
local terms energy: -76.686419
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -135.791456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.791456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.791456 (E_RNA)
where:
Base-Base interactions energy: -75.324
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.011
local terms energy: -60.456586
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -10.271
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -104.113498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.113498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.113498 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -48.706
Base-Backbone interact. energy: -0.007
local terms energy: -55.401154
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -4.789
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -10.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -89.436836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.436836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.436836 (E_RNA)
where:
Base-Base interactions energy: -31.460
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.115
local terms energy: -57.862335
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -78.518806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.518806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.518806 (E_RNA)
where:
Base-Base interactions energy: -25.971
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.935
local terms energy: -51.613498
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -2.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -89.464905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.464905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.464905 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -36.679
Base-Backbone interact. energy: 5.446
local terms energy: -58.231521
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.738
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: 10, replica: 3
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -78.144948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.144948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.144948 (E_RNA)
where:
Base-Base interactions energy: -37.194
where: short stacking energy: -7.237
Base-Backbone interact. energy: -0.387
local terms energy: -40.564470
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 3.592
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: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -216.021069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.021069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.021069 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.054
local terms energy: -77.503992
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -22.086
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: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -194.712450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.712450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.712450 (E_RNA)
where:
Base-Base interactions energy: -137.703
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.085
local terms energy: -56.923937
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -216.630808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.630808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.630808 (E_RNA)
where:
Base-Base interactions energy: -133.583
where: short stacking energy: -67.029
Base-Backbone interact. energy: -0.036
local terms energy: -83.012556
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -202.779153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.779153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.779153 (E_RNA)
where:
Base-Base interactions energy: -130.935
where: short stacking energy: -60.794
Base-Backbone interact. energy: -0.012
local terms energy: -71.831981
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -130.346373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.346373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.346373 (E_RNA)
where:
Base-Base interactions energy: -69.122
where: short stacking energy: -35.487
Base-Backbone interact. energy: -0.867
local terms energy: -60.357486
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -5.327
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: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -96.249200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.249200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.249200 (E_RNA)
where:
Base-Base interactions energy: -46.947
where: short stacking energy: -29.492
Base-Backbone interact. energy: 1.450
local terms energy: -50.752156
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -7.382
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: 7, replica: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -85.103585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.103585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.103585 (E_RNA)
where:
Base-Base interactions energy: -38.356
where: short stacking energy: -29.134
Base-Backbone interact. energy: -0.217
local terms energy: -46.529852
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -9.839
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -85.047584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.047584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.047584 (E_RNA)
where:
Base-Base interactions energy: -41.260
where: short stacking energy: -26.837
Base-Backbone interact. energy: -0.681
local terms energy: -43.106003
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -6.883
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: 0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -79.540795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.540795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.540795 (E_RNA)
where:
Base-Base interactions energy: -30.135
where: short stacking energy: -20.545
Base-Backbone interact. energy: -1.128
local terms energy: -48.277567
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -8.959
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -76.893062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.893062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.893062 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -20.781
Base-Backbone interact. energy: -0.077
local terms energy: -46.904473
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -216.340348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.340348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.340348 (E_RNA)
where:
Base-Base interactions energy: -132.683
where: short stacking energy: -67.672
Base-Backbone interact. energy: -0.044
local terms energy: -83.613050
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -17.179
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -220.746623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.746623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.746623 (E_RNA)
where:
Base-Base interactions energy: -136.453
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.232
local terms energy: -84.061542
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -20.688
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: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -191.314279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.314279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.314279 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -47.351
Base-Backbone interact. energy: -0.115
local terms energy: -73.822012
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -190.779591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.779591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.779591 (E_RNA)
where:
Base-Base interactions energy: -125.496
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.082
local terms energy: -65.200859
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -139.567799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.567799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.567799 (E_RNA)
where:
Base-Base interactions energy: -85.009
where: short stacking energy: -45.188
Base-Backbone interact. energy: 1.842
local terms energy: -56.401274
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -105.264707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.264707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.264707 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -38.510
Base-Backbone interact. energy: -0.799
local terms energy: -62.451484
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -10.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -97.121431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121431 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -31.787
Base-Backbone interact. energy: -0.605
local terms energy: -55.937724
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -89.646639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646639 (E_RNA)
where:
Base-Base interactions energy: -33.856
where: short stacking energy: -31.959
Base-Backbone interact. energy: 0.640
local terms energy: -56.430708
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -80.919999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.919999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.919999 (E_RNA)
where:
Base-Base interactions energy: -28.822
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.734
local terms energy: -51.363271
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -4.157
tors. eta vs tors. theta energy: -4.115
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: 175
Temperature: 1.350000
Total energy: -75.378465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.378465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.378465 (E_RNA)
where:
Base-Base interactions energy: -26.918
where: short stacking energy: -23.835
Base-Backbone interact. energy: -0.142
local terms energy: -48.318280
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -7.289
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -224.930231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.930231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.930231 (E_RNA)
where:
Base-Base interactions energy: -144.516
where: short stacking energy: -76.949
Base-Backbone interact. energy: 0.320
local terms energy: -80.734242
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -216.157645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.157645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.157645 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -71.105
Base-Backbone interact. energy: -0.051
local terms energy: -77.880274
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -203.484652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.484652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.484652 (E_RNA)
where:
Base-Base interactions energy: -129.084
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.063
local terms energy: -74.338034
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -199.582519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.582519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.582519 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -62.807
Base-Backbone interact. energy: -0.005
local terms energy: -68.898412
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -15.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -105.477666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.477666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.477666 (E_RNA)
where:
Base-Base interactions energy: -49.345
where: short stacking energy: -37.969
Base-Backbone interact. energy: -0.187
local terms energy: -55.945806
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.718
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -149.064085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.064085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.064085 (E_RNA)
where:
Base-Base interactions energy: -91.474
where: short stacking energy: -55.986
Base-Backbone interact. energy: -0.632
local terms energy: -56.958504
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -4.858
tors. eta vs tors. theta energy: -11.486
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: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -97.708754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.708754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.708754 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.528
local terms energy: -52.126691
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -5.232
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: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -87.229657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.229657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.229657 (E_RNA)
where:
Base-Base interactions energy: -33.887
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.018
local terms energy: -53.324189
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -10.266
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -86.205212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.205212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.205212 (E_RNA)
where:
Base-Base interactions energy: -41.716
where: short stacking energy: -34.573
Base-Backbone interact. energy: -0.111
local terms energy: -44.378595
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -76.163549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163549 (E_RNA)
where:
Base-Base interactions energy: -28.983
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.209
local terms energy: -46.971850
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.775
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: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -219.104970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.104970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.104970 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -74.531
Base-Backbone interact. energy: -0.046
local terms energy: -78.973719
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -22.495
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: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -210.129627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.129627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.129627 (E_RNA)
where:
Base-Base interactions energy: -136.476
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.613
local terms energy: -73.041169
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -196.585221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.585221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.585221 (E_RNA)
where:
Base-Base interactions energy: -127.593
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.015
local terms energy: -68.977604
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -205.703867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.703867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.703867 (E_RNA)
where:
Base-Base interactions energy: -134.325
where: short stacking energy: -69.223
Base-Backbone interact. energy: 0.004
local terms energy: -71.382172
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -97.858035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.858035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.858035 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -31.493
Base-Backbone interact. energy: -1.171
local terms energy: -59.402932
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -6.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -96.652363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.652363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.652363 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.159
local terms energy: -64.896991
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -12.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -145.696496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.696496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.696496 (E_RNA)
where:
Base-Base interactions energy: -87.485
where: short stacking energy: -43.905
Base-Backbone interact. energy: -0.133
local terms energy: -58.078417
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -8.604
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: 1
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -92.633993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.633993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.633993 (E_RNA)
where:
Base-Base interactions energy: -37.531
where: short stacking energy: -36.370
Base-Backbone interact. energy: -0.104
local terms energy: -54.999288
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -82.163683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.163683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.163683 (E_RNA)
where:
Base-Base interactions energy: -37.298
where: short stacking energy: -26.649
Base-Backbone interact. energy: 0.997
local terms energy: -45.862515
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -85.528983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528983 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.038
local terms energy: -47.311159
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -9.485
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -3.380
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: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -221.683813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.683813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.683813 (E_RNA)
where:
Base-Base interactions energy: -138.057
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.033
local terms energy: -83.593255
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -219.740652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.740652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.740652 (E_RNA)
where:
Base-Base interactions energy: -140.572
where: short stacking energy: -72.376
Base-Backbone interact. energy: -0.021
local terms energy: -79.147494
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.668
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: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -208.257609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.257609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.257609 (E_RNA)
where:
Base-Base interactions energy: -133.344
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.136
local terms energy: -74.778042
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -195.837919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.837919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.837919 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -65.998
Base-Backbone interact. energy: -0.022
local terms energy: -64.557432
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -19.471
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: 3
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -102.889365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.889365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.889365 (E_RNA)
where:
Base-Base interactions energy: -45.208
where: short stacking energy: -42.110
Base-Backbone interact. energy: -0.047
local terms energy: -57.634845
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -7.140
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -10.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -92.860430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.860430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.860430 (E_RNA)
where:
Base-Base interactions energy: -44.162
where: short stacking energy: -35.281
Base-Backbone interact. energy: -0.090
local terms energy: -48.608473
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -161.919998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.919998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.919998 (E_RNA)
where:
Base-Base interactions energy: -107.121
where: short stacking energy: -50.853
Base-Backbone interact. energy: -0.004
local terms energy: -54.794838
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.478
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -97.471607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.471607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.471607 (E_RNA)
where:
Base-Base interactions energy: -39.952
where: short stacking energy: -28.852
Base-Backbone interact. energy: -0.039
local terms energy: -57.480388
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -75.833136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.833136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.833136 (E_RNA)
where:
Base-Base interactions energy: -26.207
where: short stacking energy: -22.728
Base-Backbone interact. energy: -0.084
local terms energy: -49.542653
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -7.789
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: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -94.137420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.137420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.137420 (E_RNA)
where:
Base-Base interactions energy: -45.139
where: short stacking energy: -23.440
Base-Backbone interact. energy: -0.172
local terms energy: -48.825658
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -222.157127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.157127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157127 (E_RNA)
where:
Base-Base interactions energy: -138.287
where: short stacking energy: -73.573
Base-Backbone interact. energy: -0.084
local terms energy: -83.786698
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -12.478
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: 2, replica: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -206.402616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.402616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.402616 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -52.008
Base-Backbone interact. energy: -0.014
local terms energy: -73.285362
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -15.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -200.729370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.729370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.729370 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.000
local terms energy: -75.655035
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -19.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -203.813448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.813448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.813448 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -54.281
Base-Backbone interact. energy: -0.800
local terms energy: -78.531755
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -110.112992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.112992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.112992 (E_RNA)
where:
Base-Base interactions energy: -47.998
where: short stacking energy: -40.954
Base-Backbone interact. energy: -0.192
local terms energy: -61.923454
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -178.542925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.542925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.542925 (E_RNA)
where:
Base-Base interactions energy: -112.476
where: short stacking energy: -55.187
Base-Backbone interact. energy: -0.091
local terms energy: -65.975548
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -90.793612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.793612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.793612 (E_RNA)
where:
Base-Base interactions energy: -36.173
where: short stacking energy: -27.776
Base-Backbone interact. energy: -0.137
local terms energy: -54.483379
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -85.261763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.261763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.261763 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -24.908
Base-Backbone interact. energy: -0.123
local terms energy: -48.547510
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: 1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -82.778647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778647 (E_RNA)
where:
Base-Base interactions energy: -28.627
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.882
local terms energy: -53.269752
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -4.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -82.679082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679082 (E_RNA)
where:
Base-Base interactions energy: -28.470
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.024
local terms energy: -54.185184
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -3.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -217.831442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.831442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.831442 (E_RNA)
where:
Base-Base interactions energy: -141.751
where: short stacking energy: -74.546
Base-Backbone interact. energy: -0.338
local terms energy: -75.742187
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.289
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: 2, replica: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -218.545368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.545368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.545368 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.129
local terms energy: -73.003319
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.941
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: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -215.092501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.092501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.092501 (E_RNA)
where:
Base-Base interactions energy: -138.807
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.332
local terms energy: -75.954022
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -196.489044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.489044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.489044 (E_RNA)
where:
Base-Base interactions energy: -119.899
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.000
local terms energy: -76.589932
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -20.363
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: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -185.029823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.029823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.029823 (E_RNA)
where:
Base-Base interactions energy: -119.977
where: short stacking energy: -45.602
Base-Backbone interact. energy: -0.457
local terms energy: -64.595254
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -91.265489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265489 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -29.948
Base-Backbone interact. energy: -0.487
local terms energy: -55.770464
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.157
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: 7, replica: 1
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -90.822048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.822048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.822048 (E_RNA)
where:
Base-Base interactions energy: -31.494
where: short stacking energy: -26.130
Base-Backbone interact. energy: 0.044
local terms energy: -59.372375
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -9.140
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -86.640338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.640338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.640338 (E_RNA)
where:
Base-Base interactions energy: -24.184
where: short stacking energy: -22.544
Base-Backbone interact. energy: -0.110
local terms energy: -62.346385
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -93.725866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.725866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.725866 (E_RNA)
where:
Base-Base interactions energy: -47.851
where: short stacking energy: -17.335
Base-Backbone interact. energy: -0.744
local terms energy: -45.130767
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: 0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -69.957571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.957571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.957571 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -26.125
Base-Backbone interact. energy: -0.041
local terms energy: -43.791493
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -8.392
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -218.043792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.043792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.043792 (E_RNA)
where:
Base-Base interactions energy: -141.449
where: short stacking energy: -76.559
Base-Backbone interact. energy: -0.666
local terms energy: -75.928241
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -20.131
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: 181
Temperature: 0.950000
Total energy: -212.288180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.288180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.288180 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.303
local terms energy: -76.729211
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -10.754
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: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -209.657915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.657915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.657915 (E_RNA)
where:
Base-Base interactions energy: -134.971
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.030
local terms energy: -74.657437
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -12.018
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: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -206.582933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.582933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.582933 (E_RNA)
where:
Base-Base interactions energy: -129.846
where: short stacking energy: -66.980
Base-Backbone interact. energy: -0.029
local terms energy: -76.707544
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -20.845
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: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -196.462353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.462353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.462353 (E_RNA)
where:
Base-Base interactions energy: -122.183
where: short stacking energy: -58.825
Base-Backbone interact. energy: -0.100
local terms energy: -74.179309
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -109.569995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.569995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.569995 (E_RNA)
where:
Base-Base interactions energy: -49.565
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.023
local terms energy: -59.981699
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -115.489022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.489022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.489022 (E_RNA)
where:
Base-Base interactions energy: -49.219
where: short stacking energy: -49.219
Base-Backbone interact. energy: -0.074
local terms energy: -66.195784
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -83.390822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.390822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.390822 (E_RNA)
where:
Base-Base interactions energy: -36.523
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.216
local terms energy: -46.651225
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -88.388479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.388479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.388479 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.021
local terms energy: -54.130707
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -81.041003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.041003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.041003 (E_RNA)
where:
Base-Base interactions energy: -35.038
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.108
local terms energy: -45.895383
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -6.001
flat angles P-C4'-P energy: -2.962
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -218.256551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.256551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.256551 (E_RNA)
where:
Base-Base interactions energy: -135.878
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.755
local terms energy: -81.623271
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.316
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: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -216.524939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.524939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.524939 (E_RNA)
where:
Base-Base interactions energy: -138.254
where: short stacking energy: -74.087
Base-Backbone interact. energy: -0.027
local terms energy: -78.244137
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -21.568
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -211.873322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.873322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.873322 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -68.920
Base-Backbone interact. energy: 0.370
local terms energy: -76.014866
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -197.378811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.378811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.378811 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.000
local terms energy: -68.323145
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -195.147972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.147972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.147972 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -65.901
Base-Backbone interact. energy: -0.001
local terms energy: -73.595535
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.336
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -96.321069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321069 (E_RNA)
where:
Base-Base interactions energy: -36.992
where: short stacking energy: -34.942
Base-Backbone interact. energy: -0.550
local terms energy: -58.779582
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -105.845626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.845626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.845626 (E_RNA)
where:
Base-Base interactions energy: -50.933
where: short stacking energy: -41.638
Base-Backbone interact. energy: -0.232
local terms energy: -54.680339
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -11.807
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -83.005057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.005057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.005057 (E_RNA)
where:
Base-Base interactions energy: -30.475
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.585
local terms energy: -51.944723
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -87.466706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466706 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -32.924
Base-Backbone interact. energy: 1.560
local terms energy: -53.349873
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -86.587908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.587908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.587908 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -26.632
Base-Backbone interact. energy: -0.061
local terms energy: -49.864982
where:
bonds (distance) C4'-P energy: -5.541
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -219.118970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.118970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.118970 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -75.872
Base-Backbone interact. energy: -0.034
local terms energy: -80.062111
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -219.504910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.504910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.504910 (E_RNA)
where:
Base-Base interactions energy: -142.899
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.019
local terms energy: -76.586935
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -207.275781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.275781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.275781 (E_RNA)
where:
Base-Base interactions energy: -137.619
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.004
local terms energy: -69.653298
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -19.594
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: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -204.057197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.057197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.057197 (E_RNA)
where:
Base-Base interactions energy: -128.751
where: short stacking energy: -70.103
Base-Backbone interact. energy: -0.132
local terms energy: -75.174921
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -180.312180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.312180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.312180 (E_RNA)
where:
Base-Base interactions energy: -123.992
where: short stacking energy: -44.236
Base-Backbone interact. energy: -0.347
local terms energy: -55.973036
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -101.085931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.085931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.085931 (E_RNA)
where:
Base-Base interactions energy: -46.283
where: short stacking energy: -33.387
Base-Backbone interact. energy: -0.111
local terms energy: -54.691923
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -7.279
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: 7, replica: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -108.756826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.756826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.756826 (E_RNA)
where:
Base-Base interactions energy: -57.675
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.071
local terms energy: -51.010493
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -77.346917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.346917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.346917 (E_RNA)
where:
Base-Base interactions energy: -32.094
where: short stacking energy: -31.141
Base-Backbone interact. energy: 0.260
local terms energy: -45.513228
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -75.880592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.880592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.880592 (E_RNA)
where:
Base-Base interactions energy: -25.055
where: short stacking energy: -24.829
Base-Backbone interact. energy: -0.084
local terms energy: -50.741974
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -8.378
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: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -81.129603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.129603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.129603 (E_RNA)
where:
Base-Base interactions energy: -34.941
where: short stacking energy: -32.508
Base-Backbone interact. energy: -0.189
local terms energy: -46.000055
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -4.033
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -213.020985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.020985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.020985 (E_RNA)
where:
Base-Base interactions energy: -139.179
where: short stacking energy: -67.868
Base-Backbone interact. energy: 1.363
local terms energy: -75.204730
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -203.083887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.083887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.083887 (E_RNA)
where:
Base-Base interactions energy: -123.347
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.001
local terms energy: -79.736274
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -190.364592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.364592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.364592 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.091
local terms energy: -75.779110
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -198.790559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.790559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.790559 (E_RNA)
where:
Base-Base interactions energy: -124.720
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.569
local terms energy: -73.501727
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -196.261296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.261296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.261296 (E_RNA)
where:
Base-Base interactions energy: -131.656
where: short stacking energy: -62.544
Base-Backbone interact. energy: 1.516
local terms energy: -66.120973
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -14.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -119.085902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.085902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.085902 (E_RNA)
where:
Base-Base interactions energy: -55.595
where: short stacking energy: -47.819
Base-Backbone interact. energy: -0.288
local terms energy: -63.203530
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -13.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -98.999162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.999162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.999162 (E_RNA)
where:
Base-Base interactions energy: -42.595
where: short stacking energy: -42.595
Base-Backbone interact. energy: -0.067
local terms energy: -56.337581
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -10.594
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: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -111.017931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.017931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.017931 (E_RNA)
where:
Base-Base interactions energy: -62.415
where: short stacking energy: -39.995
Base-Backbone interact. energy: 0.098
local terms energy: -48.700796
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -87.082539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082539 (E_RNA)
where:
Base-Base interactions energy: -37.492
where: short stacking energy: -24.543
Base-Backbone interact. energy: -0.241
local terms energy: -49.350156
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -74.107340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.107340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.107340 (E_RNA)
where:
Base-Base interactions energy: -34.666
where: short stacking energy: -30.118
Base-Backbone interact. energy: 0.921
local terms energy: -40.362725
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -7.712
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -0.257
tors. eta vs tors. theta energy: -6.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -224.052209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.052209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052209 (E_RNA)
where:
Base-Base interactions energy: -145.214
where: short stacking energy: -73.913
Base-Backbone interact. energy: -0.075
local terms energy: -78.763477
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -216.954483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.954483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.954483 (E_RNA)
where:
Base-Base interactions energy: -135.923
where: short stacking energy: -72.616
Base-Backbone interact. energy: -0.031
local terms energy: -81.000461
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -205.373258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.373258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.373258 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.007
local terms energy: -74.712952
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -9.300
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: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -187.005212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.005212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.005212 (E_RNA)
where:
Base-Base interactions energy: -117.175
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.180
local terms energy: -69.650501
where:
bonds (distance) C4'-P energy: -11.189
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -208.232557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.232557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.232557 (E_RNA)
where:
Base-Base interactions energy: -129.276
where: short stacking energy: -62.820
Base-Backbone interact. energy: 0.196
local terms energy: -79.153154
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -101.148218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.148218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.148218 (E_RNA)
where:
Base-Base interactions energy: -42.889
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.177
local terms energy: -58.081507
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -8.801
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -87.541586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541586 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -25.040
Base-Backbone interact. energy: -0.087
local terms energy: -51.981338
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -11.424
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.682
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -81.552966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.552966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.552966 (E_RNA)
where:
Base-Base interactions energy: -34.692
where: short stacking energy: -26.921
Base-Backbone interact. energy: -0.080
local terms energy: -46.780224
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -7.750
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -0.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -80.666762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.666762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.666762 (E_RNA)
where:
Base-Base interactions energy: -20.847
where: short stacking energy: -20.847
Base-Backbone interact. energy: -0.221
local terms energy: -59.599094
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -76.345657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.345657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.345657 (E_RNA)
where:
Base-Base interactions energy: -26.439
where: short stacking energy: -13.481
Base-Backbone interact. energy: -0.599
local terms energy: -49.307737
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -223.271916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.271916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.271916 (E_RNA)
where:
Base-Base interactions energy: -144.387
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.355
local terms energy: -78.530049
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -17.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -218.114730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114730 (E_RNA)
where:
Base-Base interactions energy: -139.459
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.042
local terms energy: -78.612998
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -11.339
tors. eta vs tors. theta energy: -24.134
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: 6
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -210.080548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.080548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.080548 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.283
local terms energy: -76.382493
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -20.737
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: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -189.149330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.149330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.149330 (E_RNA)
where:
Base-Base interactions energy: -117.567
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.003
local terms energy: -71.579601
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -195.079384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.079384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.079384 (E_RNA)
where:
Base-Base interactions energy: -127.429
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.058
local terms energy: -67.591809
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -92.847200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.847200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.847200 (E_RNA)
where:
Base-Base interactions energy: -43.303
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.062
local terms energy: -49.482346
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -3.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -90.021645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.021645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.021645 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -34.503
Base-Backbone interact. energy: -0.082
local terms energy: -53.959412
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -84.465843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.465843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.465843 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.038
local terms energy: -53.347675
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -7.784
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -9.522
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: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -90.844551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.844551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.844551 (E_RNA)
where:
Base-Base interactions energy: -36.526
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.081
local terms energy: -54.237781
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -71.046914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.046914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.046914 (E_RNA)
where:
Base-Base interactions energy: -34.505
where: short stacking energy: -34.505
Base-Backbone interact. energy: -0.209
local terms energy: -36.333004
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -4.711
tors. eta vs tors. theta energy: -3.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -210.312882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.312882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312882 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.135
local terms energy: -73.483332
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -15.005
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: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -206.957785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.957785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.957785 (E_RNA)
where:
Base-Base interactions energy: -137.155
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.080
local terms energy: -69.722955
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -213.583340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.583340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.583340 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -66.677
Base-Backbone interact. energy: -0.145
local terms energy: -78.312805
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -19.945
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: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -182.945370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.945370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.945370 (E_RNA)
where:
Base-Base interactions energy: -114.867
where: short stacking energy: -53.815
Base-Backbone interact. energy: -0.020
local terms energy: -68.058512
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.553
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: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -197.549907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.549907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.549907 (E_RNA)
where:
Base-Base interactions energy: -129.987
where: short stacking energy: -59.772
Base-Backbone interact. energy: -0.074
local terms energy: -67.489526
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.202
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: 6, replica: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -94.514037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.514037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.514037 (E_RNA)
where:
Base-Base interactions energy: -46.626
where: short stacking energy: -36.234
Base-Backbone interact. energy: -0.155
local terms energy: -47.732789
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.202
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -91.094699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.094699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.094699 (E_RNA)
where:
Base-Base interactions energy: -40.852
where: short stacking energy: -28.584
Base-Backbone interact. energy: 1.107
local terms energy: -51.349482
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -2.220
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: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -86.533309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.533309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.533309 (E_RNA)
where:
Base-Base interactions energy: -32.475
where: short stacking energy: -27.712
Base-Backbone interact. energy: -0.406
local terms energy: -53.651515
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -1.610
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -73.488989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.488989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.488989 (E_RNA)
where:
Base-Base interactions energy: -31.845
where: short stacking energy: -24.277
Base-Backbone interact. energy: 0.849
local terms energy: -42.492597
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: 1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -71.730180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.730180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.730180 (E_RNA)
where:
Base-Base interactions energy: -23.997
where: short stacking energy: -23.008
Base-Backbone interact. energy: -0.408
local terms energy: -47.325154
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -0.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -223.076539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.076539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.076539 (E_RNA)
where:
Base-Base interactions energy: -146.117
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.037
local terms energy: -76.921891
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -215.189378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189378 (E_RNA)
where:
Base-Base interactions energy: -142.009
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.568
local terms energy: -72.612820
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -207.246033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.246033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.246033 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.002
local terms energy: -73.820327
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -17.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -167.969867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.969867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.969867 (E_RNA)
where:
Base-Base interactions energy: -99.855
where: short stacking energy: -50.273
Base-Backbone interact. energy: -0.001
local terms energy: -68.113939
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -16.794
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -10.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -208.248386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.248386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.248386 (E_RNA)
where:
Base-Base interactions energy: -129.032
where: short stacking energy: -69.502
Base-Backbone interact. energy: -0.003
local terms energy: -79.213233
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -22.198
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: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -102.075035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.075035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.075035 (E_RNA)
where:
Base-Base interactions energy: -43.813
where: short stacking energy: -35.229
Base-Backbone interact. energy: -0.028
local terms energy: -58.233461
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.796
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: 0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -94.092808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092808 (E_RNA)
where:
Base-Base interactions energy: -32.651
where: short stacking energy: -32.651
Base-Backbone interact. energy: 2.305
local terms energy: -63.746682
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -10.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -72.558554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.558554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.558554 (E_RNA)
where:
Base-Base interactions energy: -21.573
where: short stacking energy: -21.573
Base-Backbone interact. energy: -0.307
local terms energy: -50.678583
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.325
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -87.441176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.441176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.441176 (E_RNA)
where:
Base-Base interactions energy: -34.903
where: short stacking energy: -32.445
Base-Backbone interact. energy: -0.039
local terms energy: -52.499524
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -74.047655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.047655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.047655 (E_RNA)
where:
Base-Base interactions energy: -26.448
where: short stacking energy: -15.513
Base-Backbone interact. energy: -0.346
local terms energy: -47.253884
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: 4.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -220.077053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077053 (E_RNA)
where:
Base-Base interactions energy: -141.579
where: short stacking energy: -69.536
Base-Backbone interact. energy: -0.193
local terms energy: -78.305688
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -213.646002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.646002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.646002 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -70.907
Base-Backbone interact. energy: -0.651
local terms energy: -72.818670
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -212.149356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.149356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.149356 (E_RNA)
where:
Base-Base interactions energy: -139.264
where: short stacking energy: -69.396
Base-Backbone interact. energy: -0.025
local terms energy: -72.860603
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -209.532984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532984 (E_RNA)
where:
Base-Base interactions energy: -133.404
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.025
local terms energy: -76.104513
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -186.341371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.341371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.341371 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -51.055
Base-Backbone interact. energy: -0.032
local terms energy: -60.125922
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -95.865047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865047 (E_RNA)
where:
Base-Base interactions energy: -38.984
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.195
local terms energy: -56.685777
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -5.969
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: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -96.497746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.497746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.497746 (E_RNA)
where:
Base-Base interactions energy: -47.976
where: short stacking energy: -29.899
Base-Backbone interact. energy: -0.896
local terms energy: -47.625301
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -97.706358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.706358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.706358 (E_RNA)
where:
Base-Base interactions energy: -49.854
where: short stacking energy: -35.076
Base-Backbone interact. energy: -1.316
local terms energy: -46.536562
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.295
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -85.652236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.652236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.652236 (E_RNA)
where:
Base-Base interactions energy: -34.447
where: short stacking energy: -34.447
Base-Backbone interact. energy: 0.003
local terms energy: -51.208140
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -7.484
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: 3
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -67.586298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.586298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.586298 (E_RNA)
where:
Base-Base interactions energy: -22.175
where: short stacking energy: -18.932
Base-Backbone interact. energy: 0.571
local terms energy: -45.981856
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: 0.998
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: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -221.895331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.895331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.895331 (E_RNA)
where:
Base-Base interactions energy: -142.297
where: short stacking energy: -76.264
Base-Backbone interact. energy: -0.043
local terms energy: -79.555557
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -19.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -214.752011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.752011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.752011 (E_RNA)
where:
Base-Base interactions energy: -140.612
where: short stacking energy: -72.627
Base-Backbone interact. energy: -0.034
local terms energy: -74.105524
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -19.468
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: 9
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -205.491224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.491224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.491224 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -72.523
Base-Backbone interact. energy: -0.002
local terms energy: -73.406647
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -205.483254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.483254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.483254 (E_RNA)
where:
Base-Base interactions energy: -137.715
where: short stacking energy: -61.188
Base-Backbone interact. energy: 0.031
local terms energy: -67.798820
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -9.076
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: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -185.671699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.671699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.671699 (E_RNA)
where:
Base-Base interactions energy: -119.861
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.029
local terms energy: -65.782339
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -89.902750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.902750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.902750 (E_RNA)
where:
Base-Base interactions energy: -36.709
where: short stacking energy: -35.797
Base-Backbone interact. energy: 0.815
local terms energy: -54.008602
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -103.474253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.474253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.474253 (E_RNA)
where:
Base-Base interactions energy: -53.380
where: short stacking energy: -40.980
Base-Backbone interact. energy: -0.087
local terms energy: -50.007396
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -89.917980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917980 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -19.242
Base-Backbone interact. energy: 0.078
local terms energy: -49.226116
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -2.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -82.017029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.017029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.017029 (E_RNA)
where:
Base-Base interactions energy: -32.463
where: short stacking energy: -29.273
Base-Backbone interact. energy: 0.199
local terms energy: -49.753321
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: 0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -76.046733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.046733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.046733 (E_RNA)
where:
Base-Base interactions energy: -29.282
where: short stacking energy: -29.674
Base-Backbone interact. energy: -0.139
local terms energy: -46.626039
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -7.679
flat angles P-C4'-P energy: -9.297
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: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -220.294094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.294094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.294094 (E_RNA)
where:
Base-Base interactions energy: -141.139
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.012
local terms energy: -79.143593
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -19.426
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: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -211.250641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.250641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.250641 (E_RNA)
where:
Base-Base interactions energy: -136.684
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.002
local terms energy: -74.564873
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -206.331935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.331935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.331935 (E_RNA)
where:
Base-Base interactions energy: -135.136
where: short stacking energy: -60.724
Base-Backbone interact. energy: -0.101
local terms energy: -71.094824
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -195.651762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.651762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.651762 (E_RNA)
where:
Base-Base interactions energy: -123.322
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.006
local terms energy: -72.324093
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -201.309240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.309240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.309240 (E_RNA)
where:
Base-Base interactions energy: -140.065
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.078
local terms energy: -61.165920
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -17.709
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: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -110.710055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.710055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.710055 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -34.832
Base-Backbone interact. energy: -0.193
local terms energy: -63.496175
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -13.674
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: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -84.765971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765971 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.496
local terms energy: -48.051762
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -9.848
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: 8, replica: 3
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -105.853240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.853240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.853240 (E_RNA)
where:
Base-Base interactions energy: -54.888
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.308
local terms energy: -50.657005
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -6.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -87.157737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.157737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.157737 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.316
local terms energy: -50.809916
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -76.085424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.085424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.085424 (E_RNA)
where:
Base-Base interactions energy: -36.238
where: short stacking energy: -31.587
Base-Backbone interact. energy: -0.167
local terms energy: -39.680252
where:
bonds (distance) C4'-P energy: -8.802
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -221.101874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101874 (E_RNA)
where:
Base-Base interactions energy: -144.615
where: short stacking energy: -69.445
Base-Backbone interact. energy: 1.134
local terms energy: -77.621346
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -19.010
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -217.841386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.841386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.841386 (E_RNA)
where:
Base-Base interactions energy: -142.315
where: short stacking energy: -67.676
Base-Backbone interact. energy: -0.129
local terms energy: -75.397587
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -11.163
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -204.298285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.298285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.298285 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.042
local terms energy: -75.681280
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -201.803050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.803050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.803050 (E_RNA)
where:
Base-Base interactions energy: -131.001
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.018
local terms energy: -70.783916
where:
bonds (distance) C4'-P energy: -9.237
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -20.829
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: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -188.343870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.343870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.343870 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.001
local terms energy: -63.886532
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -16.117
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: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -139.331175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.331175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.331175 (E_RNA)
where:
Base-Base interactions energy: -85.717
where: short stacking energy: -36.873
Base-Backbone interact. energy: 0.835
local terms energy: -54.449208
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -12.110
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: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -144.052182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.052182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.052182 (E_RNA)
where:
Base-Base interactions energy: -86.671
where: short stacking energy: -50.008
Base-Backbone interact. energy: -0.277
local terms energy: -57.103719
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -10.562
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: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -80.914357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.914357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.914357 (E_RNA)
where:
Base-Base interactions energy: -27.383
where: short stacking energy: -23.101
Base-Backbone interact. energy: -0.340
local terms energy: -53.190794
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -73.632707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.632707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.632707 (E_RNA)
where:
Base-Base interactions energy: -26.670
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.103
local terms energy: -46.860261
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: 1.285
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -75.848990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.848990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.848990 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -28.415
Base-Backbone interact. energy: -0.096
local terms energy: -47.337980
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -218.598256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.598256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.598256 (E_RNA)
where:
Base-Base interactions energy: -145.807
where: short stacking energy: -65.694
Base-Backbone interact. energy: -0.611
local terms energy: -72.180329
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -13.887
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: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -209.764349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.764349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.764349 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.091
local terms energy: -80.425611
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -10.880
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: 193
Temperature: 1.000000
Total energy: -212.949899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.949899 (E_RNA)
where:
Base-Base interactions energy: -141.037
where: short stacking energy: -70.827
Base-Backbone interact. energy: 0.535
local terms energy: -72.448341
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -19.208
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: 2
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -203.127930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.127930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.127930 (E_RNA)
where:
Base-Base interactions energy: -122.542
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.035
local terms energy: -80.551039
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -196.831778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.831778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.831778 (E_RNA)
where:
Base-Base interactions energy: -126.919
where: short stacking energy: -62.144
Base-Backbone interact. energy: -0.201
local terms energy: -69.711789
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -19.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -138.983956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.983956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.983956 (E_RNA)
where:
Base-Base interactions energy: -81.550
where: short stacking energy: -41.944
Base-Backbone interact. energy: -0.069
local terms energy: -57.365574
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -8.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -141.047587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.047587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.047587 (E_RNA)
where:
Base-Base interactions energy: -85.282
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.396
local terms energy: -55.369053
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -5.286
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -86.095833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.095833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.095833 (E_RNA)
where:
Base-Base interactions energy: -31.541
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.999
local terms energy: -53.555730
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -85.208935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.208935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.208935 (E_RNA)
where:
Base-Base interactions energy: -34.193
where: short stacking energy: -27.698
Base-Backbone interact. energy: -0.151
local terms energy: -50.865052
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.517
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: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -79.732218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.732218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.732218 (E_RNA)
where:
Base-Base interactions energy: -33.097
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.224
local terms energy: -46.411978
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -3.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -205.490030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.490030 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -61.217
Base-Backbone interact. energy: -1.065
local terms energy: -73.996838
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -219.654594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.654594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.654594 (E_RNA)
where:
Base-Base interactions energy: -139.102
where: short stacking energy: -71.291
Base-Backbone interact. energy: -0.007
local terms energy: -80.545119
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -213.252934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.252934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252934 (E_RNA)
where:
Base-Base interactions energy: -144.722
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.019
local terms energy: -68.511638
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -17.712
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: 4, replica: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -216.893176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.893176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.893176 (E_RNA)
where:
Base-Base interactions energy: -148.810
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.010
local terms energy: -68.072553
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -17.549
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: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -186.845005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.845005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.845005 (E_RNA)
where:
Base-Base interactions energy: -119.489
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.003
local terms energy: -67.353364
where:
bonds (distance) C4'-P energy: -11.494
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -141.811159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.811159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.811159 (E_RNA)
where:
Base-Base interactions energy: -78.326
where: short stacking energy: -43.845
Base-Backbone interact. energy: -0.274
local terms energy: -63.210532
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -9.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -89.546327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.546327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.546327 (E_RNA)
where:
Base-Base interactions energy: -28.494
where: short stacking energy: -28.494
Base-Backbone interact. energy: -0.209
local terms energy: -60.843258
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -9.858
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: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -116.472628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.472628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.472628 (E_RNA)
where:
Base-Base interactions energy: -64.052
where: short stacking energy: -31.333
Base-Backbone interact. energy: 0.743
local terms energy: -53.164028
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -12.249
flat angles P-C4'-P energy: -11.486
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: 10
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -79.493088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493088 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -32.990
Base-Backbone interact. energy: -0.055
local terms energy: -43.368533
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: 1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -70.471107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.471107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.471107 (E_RNA)
where:
Base-Base interactions energy: -19.034
where: short stacking energy: -18.712
Base-Backbone interact. energy: 0.006
local terms energy: -51.443628
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: 0.919
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: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -200.060237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.060237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.060237 (E_RNA)
where:
Base-Base interactions energy: -124.744
where: short stacking energy: -65.768
Base-Backbone interact. energy: -0.004
local terms energy: -75.311511
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -19.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -228.519318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.519318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.519318 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -79.148
Base-Backbone interact. energy: -0.035
local terms energy: -79.562372
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -214.533193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.533193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.533193 (E_RNA)
where:
Base-Base interactions energy: -131.771
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.173
local terms energy: -82.589350
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -15.031
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: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -207.106015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.106015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.106015 (E_RNA)
where:
Base-Base interactions energy: -133.565
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.103
local terms energy: -73.438381
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -12.711
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: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -175.720441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.720441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.720441 (E_RNA)
where:
Base-Base interactions energy: -116.531
where: short stacking energy: -50.807
Base-Backbone interact. energy: 0.308
local terms energy: -59.497720
where:
bonds (distance) C4'-P energy: -9.669
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -94.853062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.853062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.853062 (E_RNA)
where:
Base-Base interactions energy: -40.946
where: short stacking energy: -35.240
Base-Backbone interact. energy: -1.171
local terms energy: -52.737046
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -2.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -148.857000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.857000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.857000 (E_RNA)
where:
Base-Base interactions energy: -89.396
where: short stacking energy: -57.833
Base-Backbone interact. energy: -0.275
local terms energy: -59.185609
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -118.873994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.873994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.873994 (E_RNA)
where:
Base-Base interactions energy: -72.546
where: short stacking energy: -41.824
Base-Backbone interact. energy: -0.182
local terms energy: -46.146339
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -5.944
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: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -83.172553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.172553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.172553 (E_RNA)
where:
Base-Base interactions energy: -37.571
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.836
local terms energy: -44.766060
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -7.559
flat angles P-C4'-P energy: -2.884
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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -70.335623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.335623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.335623 (E_RNA)
where:
Base-Base interactions energy: -28.738
where: short stacking energy: -26.148
Base-Backbone interact. energy: -0.009
local terms energy: -41.588818
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -4.018
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -223.355604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.355604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.355604 (E_RNA)
where:
Base-Base interactions energy: -145.207
where: short stacking energy: -78.226
Base-Backbone interact. energy: -0.020
local terms energy: -78.128044
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -202.618892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.618892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.618892 (E_RNA)
where:
Base-Base interactions energy: -129.678
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.250
local terms energy: -72.690084
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -210.892048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.892048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.892048 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -68.147
Base-Backbone interact. energy: -0.053
local terms energy: -71.287061
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -18.676
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: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -196.233710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.233710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233710 (E_RNA)
where:
Base-Base interactions energy: -134.967
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.146
local terms energy: -61.120120
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -8.834
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -152.000276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.000276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.000276 (E_RNA)
where:
Base-Base interactions energy: -86.514
where: short stacking energy: -44.190
Base-Backbone interact. energy: -0.257
local terms energy: -65.229630
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -97.453528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.453528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.453528 (E_RNA)
where:
Base-Base interactions energy: -40.179
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.114
local terms energy: -57.160998
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -166.314928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.314928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.314928 (E_RNA)
where:
Base-Base interactions energy: -100.283
where: short stacking energy: -45.194
Base-Backbone interact. energy: -0.102
local terms energy: -65.930647
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -9.772
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -9.812
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: 196
Temperature: 1.250000
Total energy: -92.719761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.719761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.719761 (E_RNA)
where:
Base-Base interactions energy: -45.969
where: short stacking energy: -32.506
Base-Backbone interact. energy: 0.223
local terms energy: -46.973470
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -10.011
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -82.987083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.987083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.987083 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -29.378
Base-Backbone interact. energy: 1.118
local terms energy: -48.340080
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -75.632384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.632384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.632384 (E_RNA)
where:
Base-Base interactions energy: -31.678
where: short stacking energy: -24.644
Base-Backbone interact. energy: -0.235
local terms energy: -43.719366
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -8.010
flat angles P-C4'-P energy: -5.576
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: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -218.764252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.764252 (E_RNA)
where:
Base-Base interactions energy: -143.014
where: short stacking energy: -72.756
Base-Backbone interact. energy: -0.215
local terms energy: -75.534724
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -214.397993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.397993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.397993 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.072
local terms energy: -75.311264
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -197.703286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.703286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.703286 (E_RNA)
where:
Base-Base interactions energy: -128.349
where: short stacking energy: -64.271
Base-Backbone interact. energy: -0.107
local terms energy: -69.247940
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -13.006
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: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -174.370405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.370405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.370405 (E_RNA)
where:
Base-Base interactions energy: -107.636
where: short stacking energy: -50.538
Base-Backbone interact. energy: 0.158
local terms energy: -66.892482
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -12.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -176.167802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.167802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167802 (E_RNA)
where:
Base-Base interactions energy: -108.800
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.088
local terms energy: -67.279329
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -101.004774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.004774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.004774 (E_RNA)
where:
Base-Base interactions energy: -39.041
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.017
local terms energy: -61.946304
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -8.844
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -125.120957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.120957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.120957 (E_RNA)
where:
Base-Base interactions energy: -77.324
where: short stacking energy: -44.704
Base-Backbone interact. energy: -0.188
local terms energy: -47.608276
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -86.399926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399926 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -32.486
Base-Backbone interact. energy: -0.048
local terms energy: -53.865998
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -5.263
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: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -97.389005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.389005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.389005 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -43.365
Base-Backbone interact. energy: -0.024
local terms energy: -53.999923
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: -10.516
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: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -77.991748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.991748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.991748 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -32.676
Base-Backbone interact. energy: 1.021
local terms energy: -46.130406
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -3.264
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: 9
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -218.679085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.679085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.679085 (E_RNA)
where:
Base-Base interactions energy: -138.341
where: short stacking energy: -67.061
Base-Backbone interact. energy: -0.006
local terms energy: -80.331942
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -12.730
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: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -223.959101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.959101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.959101 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.073
local terms energy: -80.570572
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -213.916485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916485 (E_RNA)
where:
Base-Base interactions energy: -135.174
where: short stacking energy: -69.044
Base-Backbone interact. energy: -0.048
local terms energy: -78.694928
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -20.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -160.472499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.472499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.472499 (E_RNA)
where:
Base-Base interactions energy: -93.618
where: short stacking energy: -50.243
Base-Backbone interact. energy: -0.047
local terms energy: -66.807240
where:
bonds (distance) C4'-P energy: -8.091
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -167.502371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.502371 (E_RNA)
where:
Base-Base interactions energy: -103.776
where: short stacking energy: -52.366
Base-Backbone interact. energy: -0.201
local terms energy: -63.525867
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -104.993363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.993363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.993363 (E_RNA)
where:
Base-Base interactions energy: -45.207
where: short stacking energy: -45.207
Base-Backbone interact. energy: -0.285
local terms energy: -59.502005
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -14.264
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: 198
Temperature: 1.200000
Total energy: -106.345091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.345091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.345091 (E_RNA)
where:
Base-Base interactions energy: -48.308
where: short stacking energy: -44.417
Base-Backbone interact. energy: -0.044
local terms energy: -57.993163
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -6.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -83.763973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.763973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.763973 (E_RNA)
where:
Base-Base interactions energy: -36.429
where: short stacking energy: -36.429
Base-Backbone interact. energy: -0.350
local terms energy: -46.985062
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -4.188
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -86.435595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.435595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.435595 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -30.296
Base-Backbone interact. energy: -0.090
local terms energy: -52.726739
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -3.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -78.622455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.622455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.622455 (E_RNA)
where:
Base-Base interactions energy: -29.416
where: short stacking energy: -29.416
Base-Backbone interact. energy: 0.048
local terms energy: -49.254051
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.038
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -222.609681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.609681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.609681 (E_RNA)
where:
Base-Base interactions energy: -143.829
where: short stacking energy: -75.926
Base-Backbone interact. energy: -0.377
local terms energy: -78.403391
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -212.893161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.893161 (E_RNA)
where:
Base-Base interactions energy: -136.859
where: short stacking energy: -67.614
Base-Backbone interact. energy: -0.671
local terms energy: -75.363181
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -21.707
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: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -209.727053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.727053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727053 (E_RNA)
where:
Base-Base interactions energy: -134.726
where: short stacking energy: -65.067
Base-Backbone interact. energy: -0.464
local terms energy: -74.536488
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.960
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: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -193.831793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.831793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.831793 (E_RNA)
where:
Base-Base interactions energy: -118.114
where: short stacking energy: -58.734
Base-Backbone interact. energy: -0.078
local terms energy: -75.640058
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -167.022241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.022241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.022241 (E_RNA)
where:
Base-Base interactions energy: -104.309
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.643
local terms energy: -62.070203
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.921
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: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -101.192437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.192437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.192437 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -48.468
Base-Backbone interact. energy: 1.993
local terms energy: -54.717297
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -15.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -83.624821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624821 (E_RNA)
where:
Base-Base interactions energy: -29.723
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.030
local terms energy: -53.871921
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -0.058
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: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -87.792066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.792066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.792066 (E_RNA)
where:
Base-Base interactions energy: -36.399
where: short stacking energy: -24.806
Base-Backbone interact. energy: -0.474
local terms energy: -50.918911
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -4.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -80.076275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.076275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.076275 (E_RNA)
where:
Base-Base interactions energy: -20.085
where: short stacking energy: -16.928
Base-Backbone interact. energy: -0.255
local terms energy: -59.736099
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -5.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -75.269892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.269892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.269892 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.333
local terms energy: -40.758818
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: 3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -215.962491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.962491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.962491 (E_RNA)
where:
Base-Base interactions energy: -136.440
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.007
local terms energy: -79.514670
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -13.864
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -11.236
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: 2, replica: 9
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -215.414072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.414072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.414072 (E_RNA)
where:
Base-Base interactions energy: -139.700
where: short stacking energy: -73.530
Base-Backbone interact. energy: -0.016
local terms energy: -75.697399
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -9.337
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: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -195.399443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.399443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.399443 (E_RNA)
where:
Base-Base interactions energy: -121.739
where: short stacking energy: -56.995
Base-Backbone interact. energy: -0.261
local terms energy: -73.399503
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -209.409514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.409514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.409514 (E_RNA)
where:
Base-Base interactions energy: -135.827
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.066
local terms energy: -73.516361
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -123.658969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.658969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.658969 (E_RNA)
where:
Base-Base interactions energy: -60.628
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.264
local terms energy: -62.766716
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -10.429
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -168.875598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.875598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.875598 (E_RNA)
where:
Base-Base interactions energy: -102.862
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.048
local terms energy: -65.965707
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -98.846872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846872 (E_RNA)
where:
Base-Base interactions energy: -37.888
where: short stacking energy: -37.888
Base-Backbone interact. energy: -0.207
local terms energy: -60.751412
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -83.437210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.437210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.437210 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -28.714
Base-Backbone interact. energy: -0.158
local terms energy: -54.564895
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -5.765
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -76.391752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.391752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.391752 (E_RNA)
where:
Base-Base interactions energy: -28.221
where: short stacking energy: -27.840
Base-Backbone interact. energy: -0.116
local terms energy: -48.053963
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -0.669
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -73.758838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.758838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.758838 (E_RNA)
where:
Base-Base interactions energy: -27.917
where: short stacking energy: -21.960
Base-Backbone interact. energy: -0.380
local terms energy: -45.460952
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: 5.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -213.174541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.174541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.174541 (E_RNA)
where:
Base-Base interactions energy: -136.828
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.959
local terms energy: -75.387579
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -17.676
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: 201
Temperature: 0.950000
Total energy: -211.302728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.302728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.302728 (E_RNA)
where:
Base-Base interactions energy: -140.825
where: short stacking energy: -68.871
Base-Backbone interact. energy: -0.008
local terms energy: -70.469630
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -201.239655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.239655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.239655 (E_RNA)
where:
Base-Base interactions energy: -122.129
where: short stacking energy: -63.745
Base-Backbone interact. energy: -0.653
local terms energy: -78.456947
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -210.297615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.297615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.297615 (E_RNA)
where:
Base-Base interactions energy: -132.887
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.963
local terms energy: -76.447433
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -109.820628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.820628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.820628 (E_RNA)
where:
Base-Base interactions energy: -49.577
where: short stacking energy: -41.848
Base-Backbone interact. energy: -0.001
local terms energy: -60.242636
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -5.128
tors. eta vs tors. theta energy: -11.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -162.220936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.220936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.220936 (E_RNA)
where:
Base-Base interactions energy: -91.628
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.029
local terms energy: -70.563869
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -14.086
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: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -93.602548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.602548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.602548 (E_RNA)
where:
Base-Base interactions energy: -35.142
where: short stacking energy: -25.133
Base-Backbone interact. energy: -0.106
local terms energy: -58.354987
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -86.759759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.759759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.759759 (E_RNA)
where:
Base-Base interactions energy: -30.676
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.244
local terms energy: -55.840251
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -84.869792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.869792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.869792 (E_RNA)
where:
Base-Base interactions energy: -33.444
where: short stacking energy: -27.128
Base-Backbone interact. energy: -1.922
local terms energy: -49.503472
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -11.202
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: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -70.601545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.601545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.601545 (E_RNA)
where:
Base-Base interactions energy: -17.947
where: short stacking energy: -16.863
Base-Backbone interact. energy: 1.588
local terms energy: -54.242242
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -7.747
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: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -217.621196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.621196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.621196 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.005
local terms energy: -80.473684
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -19.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -221.439536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.439536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.439536 (E_RNA)
where:
Base-Base interactions energy: -138.096
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.094
local terms energy: -83.249329
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -215.167558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.167558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.167558 (E_RNA)
where:
Base-Base interactions energy: -137.809
where: short stacking energy: -74.656
Base-Backbone interact. energy: -0.010
local terms energy: -77.348508
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -22.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -206.225918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.225918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.225918 (E_RNA)
where:
Base-Base interactions energy: -133.691
where: short stacking energy: -67.493
Base-Backbone interact. energy: -0.010
local terms energy: -72.525306
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -16.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -150.916141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.916141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.916141 (E_RNA)
where:
Base-Base interactions energy: -90.837
where: short stacking energy: -45.981
Base-Backbone interact. energy: 0.229
local terms energy: -60.307852
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -95.934984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.934984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.934984 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.173
local terms energy: -61.392334
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -3.908
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: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -93.839323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839323 (E_RNA)
where:
Base-Base interactions energy: -42.392
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.097
local terms energy: -51.350465
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -3.018
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: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -82.741938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.741938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.741938 (E_RNA)
where:
Base-Base interactions energy: -29.167
where: short stacking energy: -24.135
Base-Backbone interact. energy: -0.128
local terms energy: -53.446930
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -3.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -83.469014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.469014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.469014 (E_RNA)
where:
Base-Base interactions energy: -36.308
where: short stacking energy: -28.244
Base-Backbone interact. energy: -0.118
local terms energy: -47.042755
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -3.254
tors. eta vs tors. theta energy: -5.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -71.119549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.119549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.119549 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -26.923
Base-Backbone interact. energy: -0.282
local terms energy: -40.943635
where:
bonds (distance) C4'-P energy: -7.365
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 2.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -213.839910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.839910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.839910 (E_RNA)
where:
Base-Base interactions energy: -139.940
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.051
local terms energy: -73.848326
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -219.341711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341711 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.070
local terms energy: -75.379403
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -18.006
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -217.441876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.441876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.441876 (E_RNA)
where:
Base-Base interactions energy: -138.034
where: short stacking energy: -69.694
Base-Backbone interact. energy: 0.204
local terms energy: -79.612528
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -20.524
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: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -175.300799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.300799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.300799 (E_RNA)
where:
Base-Base interactions energy: -118.032
where: short stacking energy: -51.895
Base-Backbone interact. energy: -0.090
local terms energy: -57.179266
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -7.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -205.376764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.376764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.376764 (E_RNA)
where:
Base-Base interactions energy: -131.891
where: short stacking energy: -67.914
Base-Backbone interact. energy: -0.091
local terms energy: -73.395731
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -88.783815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.783815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.783815 (E_RNA)
where:
Base-Base interactions energy: -43.207
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.177
local terms energy: -45.399428
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -8.297
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -82.347926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.347926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.347926 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.860
local terms energy: -48.235895
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -87.646718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.646718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.646718 (E_RNA)
where:
Base-Base interactions energy: -35.113
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.005
local terms energy: -52.528955
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -7.532
flat angles P-C4'-P energy: -9.219
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: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.062595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062595 (E_RNA)
where:
Base-Base interactions energy: -35.057
where: short stacking energy: -24.602
Base-Backbone interact. energy: -0.670
local terms energy: -51.335092
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -73.026352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.026352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.026352 (E_RNA)
where:
Base-Base interactions energy: -27.580
where: short stacking energy: -15.852
Base-Backbone interact. energy: -0.713
local terms energy: -44.733525
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: 0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -220.092521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.092521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.092521 (E_RNA)
where:
Base-Base interactions energy: -144.643
where: short stacking energy: -75.148
Base-Backbone interact. energy: -0.011
local terms energy: -75.437990
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -215.564453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.564453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.564453 (E_RNA)
where:
Base-Base interactions energy: -136.050
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.091
local terms energy: -79.424337
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -16.016
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -20.668
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: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -197.391823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.391823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.391823 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -59.924
Base-Backbone interact. energy: 0.451
local terms energy: -68.672163
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -202.542970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.542970 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -53.115
Base-Backbone interact. energy: -1.367
local terms energy: -70.303523
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -197.069529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069529 (E_RNA)
where:
Base-Base interactions energy: -123.967
where: short stacking energy: -68.616
Base-Backbone interact. energy: -0.031
local terms energy: -73.071608
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -8.952
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: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -95.757296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757296 (E_RNA)
where:
Base-Base interactions energy: -37.367
where: short stacking energy: -32.139
Base-Backbone interact. energy: -0.141
local terms energy: -58.249804
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -80.524789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.524789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.524789 (E_RNA)
where:
Base-Base interactions energy: -32.555
where: short stacking energy: -29.638
Base-Backbone interact. energy: -0.067
local terms energy: -47.902685
where:
bonds (distance) C4'-P energy: -9.773
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -5.415
tors. eta vs tors. theta energy: -3.633
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: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -87.953511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.953511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.953511 (E_RNA)
where:
Base-Base interactions energy: -29.095
where: short stacking energy: -29.095
Base-Backbone interact. energy: -0.137
local terms energy: -58.721283
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -83.729424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.729424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.729424 (E_RNA)
where:
Base-Base interactions energy: -33.388
where: short stacking energy: -31.184
Base-Backbone interact. energy: 0.243
local terms energy: -50.583978
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -5.408
flat angles P-C4'-P energy: -11.878
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: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -89.167832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167832 (E_RNA)
where:
Base-Base interactions energy: -40.541
where: short stacking energy: -15.171
Base-Backbone interact. energy: -0.147
local terms energy: -48.478996
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -222.375379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.375379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.375379 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -63.787
Base-Backbone interact. energy: -0.943
local terms energy: -73.585718
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -21.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -221.235744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.235744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.235744 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -71.454
Base-Backbone interact. energy: -1.035
local terms energy: -76.127545
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -21.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -195.945509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.945509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.945509 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -57.332
Base-Backbone interact. energy: -0.010
local terms energy: -76.574491
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -208.591955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.591955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.591955 (E_RNA)
where:
Base-Base interactions energy: -133.274
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.666
local terms energy: -74.652517
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -20.027
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: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -193.717324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.717324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.717324 (E_RNA)
where:
Base-Base interactions energy: -123.247
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.118
local terms energy: -70.352477
where:
bonds (distance) C4'-P energy: -6.245
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -8.733
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: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -102.536610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.536610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.536610 (E_RNA)
where:
Base-Base interactions energy: -44.655
where: short stacking energy: -44.655
Base-Backbone interact. energy: -0.129
local terms energy: -57.752574
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.821
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: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -85.450455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.450455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.450455 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.063
local terms energy: -50.800035
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -6.825
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -85.405663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.405663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.405663 (E_RNA)
where:
Base-Base interactions energy: -34.059
where: short stacking energy: -31.902
Base-Backbone interact. energy: -0.025
local terms energy: -51.322031
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -6.782
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -82.547708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.547708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.547708 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.233
local terms energy: -49.372335
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.842059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.842059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.842059 (E_RNA)
where:
Base-Base interactions energy: -29.896
where: short stacking energy: -23.242
Base-Backbone interact. energy: -0.311
local terms energy: -45.635472
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -210.312789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.312789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312789 (E_RNA)
where:
Base-Base interactions energy: -132.257
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.031
local terms energy: -78.024918
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -214.927563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.927563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.927563 (E_RNA)
where:
Base-Base interactions energy: -129.536
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.387
local terms energy: -85.004166
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -12.759
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: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -212.218036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.218036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.218036 (E_RNA)
where:
Base-Base interactions energy: -132.101
where: short stacking energy: -63.340
Base-Backbone interact. energy: -0.004
local terms energy: -80.113300
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -198.445917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.445917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445917 (E_RNA)
where:
Base-Base interactions energy: -124.213
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.004
local terms energy: -74.228914
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -189.588510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.588510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.588510 (E_RNA)
where:
Base-Base interactions energy: -123.183
where: short stacking energy: -52.964
Base-Backbone interact. energy: 0.613
local terms energy: -67.018394
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -95.712488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.712488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.712488 (E_RNA)
where:
Base-Base interactions energy: -46.680
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.696
local terms energy: -48.336607
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -100.673259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.673259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.673259 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -30.352
Base-Backbone interact. energy: 0.658
local terms energy: -62.251957
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -8.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -96.890942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.890942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.890942 (E_RNA)
where:
Base-Base interactions energy: -33.437
where: short stacking energy: -30.887
Base-Backbone interact. energy: -0.144
local terms energy: -63.309986
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -94.484564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.484564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.484564 (E_RNA)
where:
Base-Base interactions energy: -43.211
where: short stacking energy: -39.806
Base-Backbone interact. energy: -0.153
local terms energy: -51.120760
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -6.871
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -9.049
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: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -72.769020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.769020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.769020 (E_RNA)
where:
Base-Base interactions energy: -25.349
where: short stacking energy: -25.303
Base-Backbone interact. energy: -0.034
local terms energy: -47.385682
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -217.927093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.927093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.927093 (E_RNA)
where:
Base-Base interactions energy: -137.046
where: short stacking energy: -72.271
Base-Backbone interact. energy: -0.008
local terms energy: -80.873095
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -217.806037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.806037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.806037 (E_RNA)
where:
Base-Base interactions energy: -141.117
where: short stacking energy: -72.140
Base-Backbone interact. energy: -0.002
local terms energy: -76.687016
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -197.684984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.684984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.684984 (E_RNA)
where:
Base-Base interactions energy: -126.405
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.410
local terms energy: -70.869823
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -9.177
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: 207
Temperature: 1.050000
Total energy: -202.159360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.159360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.159360 (E_RNA)
where:
Base-Base interactions energy: -128.361
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.568
local terms energy: -73.230986
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.720
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: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -185.966482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.966482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.966482 (E_RNA)
where:
Base-Base interactions energy: -115.773
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.528
local terms energy: -69.664919
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -97.536760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.536760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.536760 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -36.265
Base-Backbone interact. energy: -0.364
local terms energy: -47.929153
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -92.746356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.746356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.746356 (E_RNA)
where:
Base-Base interactions energy: -32.252
where: short stacking energy: -29.867
Base-Backbone interact. energy: -0.363
local terms energy: -60.131191
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -9.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -93.109962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.109962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.109962 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -32.488
Base-Backbone interact. energy: -0.109
local terms energy: -51.790541
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -7.533
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: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -80.496352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.496352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.496352 (E_RNA)
where:
Base-Base interactions energy: -24.717
where: short stacking energy: -22.863
Base-Backbone interact. energy: -0.224
local terms energy: -55.555624
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -65.597667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.597667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.597667 (E_RNA)
where:
Base-Base interactions energy: -17.194
where: short stacking energy: -16.557
Base-Backbone interact. energy: -0.354
local terms energy: -48.049670
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -8.527
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -223.924638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.924638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.924638 (E_RNA)
where:
Base-Base interactions energy: -147.109
where: short stacking energy: -72.990
Base-Backbone interact. energy: 1.285
local terms energy: -78.101040
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -213.463487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.463487 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -70.476
Base-Backbone interact. energy: 2.172
local terms energy: -72.072005
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -189.449099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.449099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.449099 (E_RNA)
where:
Base-Base interactions energy: -122.541
where: short stacking energy: -53.328
Base-Backbone interact. energy: -0.333
local terms energy: -66.575382
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -184.603392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.603392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.603392 (E_RNA)
where:
Base-Base interactions energy: -120.506
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.153
local terms energy: -63.944157
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -15.194
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: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -186.171000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.171000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.171000 (E_RNA)
where:
Base-Base interactions energy: -112.192
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.003
local terms energy: -73.976103
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -134.541378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.541378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.541378 (E_RNA)
where:
Base-Base interactions energy: -70.547
where: short stacking energy: -45.746
Base-Backbone interact. energy: -0.237
local terms energy: -63.758289
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -85.363887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.363887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.363887 (E_RNA)
where:
Base-Base interactions energy: -35.829
where: short stacking energy: -28.975
Base-Backbone interact. energy: 1.118
local terms energy: -50.652756
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -77.194550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.194550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.194550 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -17.611
Base-Backbone interact. energy: -0.010
local terms energy: -42.758389
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 2.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -88.571944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.571944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.571944 (E_RNA)
where:
Base-Base interactions energy: -32.686
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.103
local terms energy: -55.783699
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -83.762238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.762238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.762238 (E_RNA)
where:
Base-Base interactions energy: -31.307
where: short stacking energy: -15.959
Base-Backbone interact. energy: 0.895
local terms energy: -53.350256
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -13.042
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: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -219.676339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676339 (E_RNA)
where:
Base-Base interactions energy: -143.631
where: short stacking energy: -70.148
Base-Backbone interact. energy: -0.001
local terms energy: -76.044292
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -196.451178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.451178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.451178 (E_RNA)
where:
Base-Base interactions energy: -132.300
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.222
local terms energy: -63.929023
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -11.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -216.929340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.929340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.929340 (E_RNA)
where:
Base-Base interactions energy: -138.121
where: short stacking energy: -70.969
Base-Backbone interact. energy: -0.027
local terms energy: -78.781445
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -196.617819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.617819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617819 (E_RNA)
where:
Base-Base interactions energy: -135.132
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.120
local terms energy: -61.365855
where:
bonds (distance) C4'-P energy: -6.886
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.339
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: 5, replica: 9
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -190.800602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.800602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.800602 (E_RNA)
where:
Base-Base interactions energy: -129.132
where: short stacking energy: -58.755
Base-Backbone interact. energy: -0.201
local terms energy: -61.468093
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -13.131
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: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -129.368984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.368984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.368984 (E_RNA)
where:
Base-Base interactions energy: -68.547
where: short stacking energy: -36.963
Base-Backbone interact. energy: -0.443
local terms energy: -60.378380
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -5.782
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -111.359861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.359861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.359861 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -45.711
Base-Backbone interact. energy: -0.000
local terms energy: -65.648158
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -86.068504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068504 (E_RNA)
where:
Base-Base interactions energy: -27.045
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.174
local terms energy: -58.848921
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -107.229351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.229351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.229351 (E_RNA)
where:
Base-Base interactions energy: -61.210
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.408
local terms energy: -45.610828
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -3.633
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: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -74.035708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.035708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.035708 (E_RNA)
where:
Base-Base interactions energy: -29.592
where: short stacking energy: -18.783
Base-Backbone interact. energy: 0.961
local terms energy: -45.403781
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -219.181027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.181027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.181027 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.003
local terms energy: -77.635580
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -209.179419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.179419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.179419 (E_RNA)
where:
Base-Base interactions energy: -129.429
where: short stacking energy: -63.244
Base-Backbone interact. energy: -0.703
local terms energy: -79.047660
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -217.245075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.245075 (E_RNA)
where:
Base-Base interactions energy: -137.264
where: short stacking energy: -76.674
Base-Backbone interact. energy: -0.223
local terms energy: -79.758584
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.976
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: 4, replica: 4
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -205.359787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.359787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.359787 (E_RNA)
where:
Base-Base interactions energy: -127.026
where: short stacking energy: -64.132
Base-Backbone interact. energy: -1.243
local terms energy: -77.090635
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -198.716307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.716307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.716307 (E_RNA)
where:
Base-Base interactions energy: -129.173
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.011
local terms energy: -69.532172
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -144.912924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.912924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.912924 (E_RNA)
where:
Base-Base interactions energy: -88.470
where: short stacking energy: -37.978
Base-Backbone interact. energy: -0.377
local terms energy: -56.065215
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -8.605
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: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -90.437407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.437407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.437407 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -32.811
Base-Backbone interact. energy: -0.172
local terms energy: -56.996554
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -83.737670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.737670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.737670 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -21.646
Base-Backbone interact. energy: -0.111
local terms energy: -51.863079
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -83.185704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.185704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.185704 (E_RNA)
where:
Base-Base interactions energy: -34.742
where: short stacking energy: -34.742
Base-Backbone interact. energy: 0.568
local terms energy: -49.011526
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -79.503251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.503251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.503251 (E_RNA)
where:
Base-Base interactions energy: -36.497
where: short stacking energy: -36.139
Base-Backbone interact. energy: -0.305
local terms energy: -42.701570
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: 0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -217.738302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.738302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.738302 (E_RNA)
where:
Base-Base interactions energy: -143.106
where: short stacking energy: -74.398
Base-Backbone interact. energy: -0.205
local terms energy: -74.427689
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -216.689150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.689150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.689150 (E_RNA)
where:
Base-Base interactions energy: -135.719
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.034
local terms energy: -80.935384
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -18.481
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: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -215.868868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.868868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.868868 (E_RNA)
where:
Base-Base interactions energy: -138.202
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.082
local terms energy: -77.584650
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -201.992751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.992751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.992751 (E_RNA)
where:
Base-Base interactions energy: -124.451
where: short stacking energy: -51.434
Base-Backbone interact. energy: -1.229
local terms energy: -76.312721
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.785
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -184.009713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.009713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.009713 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -63.220
Base-Backbone interact. energy: -0.058
local terms energy: -63.012850
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -12.086
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -19.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -152.363604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.363604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.363604 (E_RNA)
where:
Base-Base interactions energy: -90.298
where: short stacking energy: -51.559
Base-Backbone interact. energy: -0.005
local terms energy: -62.061350
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -13.856
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -87.388457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.388457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.388457 (E_RNA)
where:
Base-Base interactions energy: -27.266
where: short stacking energy: -27.015
Base-Backbone interact. energy: -0.111
local terms energy: -60.011686
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -90.105866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.105866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.105866 (E_RNA)
where:
Base-Base interactions energy: -38.965
where: short stacking energy: -35.239
Base-Backbone interact. energy: -0.162
local terms energy: -50.979178
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -4.727
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -11.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -79.179029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179029 (E_RNA)
where:
Base-Base interactions energy: -28.376
where: short stacking energy: -28.376
Base-Backbone interact. energy: -0.251
local terms energy: -50.552157
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.307851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.307851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.307851 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.085
local terms energy: -48.449277
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -8.781
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -215.902131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.902131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.902131 (E_RNA)
where:
Base-Base interactions energy: -142.002
where: short stacking energy: -69.023
Base-Backbone interact. energy: -0.046
local terms energy: -73.854572
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -206.694121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.694121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.694121 (E_RNA)
where:
Base-Base interactions energy: -129.976
where: short stacking energy: -66.341
Base-Backbone interact. energy: -0.018
local terms energy: -76.699865
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -219.845327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.845327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.845327 (E_RNA)
where:
Base-Base interactions energy: -139.395
where: short stacking energy: -67.576
Base-Backbone interact. energy: -0.034
local terms energy: -80.415940
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -21.990
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: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -196.855708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.855708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.855708 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -52.053
Base-Backbone interact. energy: -0.729
local terms energy: -75.507517
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -10.805
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: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -187.366500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.366500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.366500 (E_RNA)
where:
Base-Base interactions energy: -116.382
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.836
local terms energy: -70.149218
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -16.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -142.047038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.047038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.047038 (E_RNA)
where:
Base-Base interactions energy: -83.148
where: short stacking energy: -39.041
Base-Backbone interact. energy: -0.260
local terms energy: -58.638666
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -84.007505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.007505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.007505 (E_RNA)
where:
Base-Base interactions energy: -33.974
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.072
local terms energy: -49.961399
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -83.585763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.585763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.585763 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -27.029
Base-Backbone interact. energy: -0.134
local terms energy: -56.421911
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -8.915
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: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -88.234768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234768 (E_RNA)
where:
Base-Base interactions energy: -37.778
where: short stacking energy: -22.246
Base-Backbone interact. energy: -0.139
local terms energy: -50.317095
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -86.934436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.934436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.934436 (E_RNA)
where:
Base-Base interactions energy: -33.199
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.095
local terms energy: -53.641223
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -4.447
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: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -217.391688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.391688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.391688 (E_RNA)
where:
Base-Base interactions energy: -137.279
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.011
local terms energy: -80.102340
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -13.262
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -213.891056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.891056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.891056 (E_RNA)
where:
Base-Base interactions energy: -134.765
where: short stacking energy: -70.477
Base-Backbone interact. energy: -0.042
local terms energy: -79.084076
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -203.477716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.477716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.477716 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.042
local terms energy: -67.521873
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -196.494291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494291 (E_RNA)
where:
Base-Base interactions energy: -127.836
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.002
local terms energy: -68.656415
where:
bonds (distance) C4'-P energy: -7.992
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -18.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -180.745707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.745707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.745707 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.145
local terms energy: -63.118052
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -14.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -123.683548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.683548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.683548 (E_RNA)
where:
Base-Base interactions energy: -68.933
where: short stacking energy: -33.332
Base-Backbone interact. energy: 0.434
local terms energy: -55.184512
where:
bonds (distance) C4'-P energy: -11.909
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -8.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -81.863018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863018 (E_RNA)
where:
Base-Base interactions energy: -33.790
where: short stacking energy: -33.790
Base-Backbone interact. energy: -0.284
local terms energy: -47.788949
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -85.723282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.723282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.723282 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -29.994
Base-Backbone interact. energy: 2.290
local terms energy: -52.340681
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -79.185048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.185048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.185048 (E_RNA)
where:
Base-Base interactions energy: -27.754
where: short stacking energy: -25.408
Base-Backbone interact. energy: 2.329
local terms energy: -53.759886
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -71.423887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.423887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.423887 (E_RNA)
where:
Base-Base interactions energy: -26.428
where: short stacking energy: -26.428
Base-Backbone interact. energy: -0.373
local terms energy: -44.622294
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: 0.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -218.114538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.114538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.114538 (E_RNA)
where:
Base-Base interactions energy: -138.715
where: short stacking energy: -69.532
Base-Backbone interact. energy: -0.632
local terms energy: -78.766982
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -18.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -218.193784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.193784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.193784 (E_RNA)
where:
Base-Base interactions energy: -136.842
where: short stacking energy: -70.177
Base-Backbone interact. energy: -0.176
local terms energy: -81.175580
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -214.073509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.073509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.073509 (E_RNA)
where:
Base-Base interactions energy: -136.987
where: short stacking energy: -68.770
Base-Backbone interact. energy: 1.944
local terms energy: -79.030633
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -21.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -212.587791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.587791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.587791 (E_RNA)
where:
Base-Base interactions energy: -144.191
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.044
local terms energy: -68.352903
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -16.098
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: 9
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -185.717805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.717805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.717805 (E_RNA)
where:
Base-Base interactions energy: -118.738
where: short stacking energy: -56.977
Base-Backbone interact. energy: -0.088
local terms energy: -66.891621
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -14.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -98.071747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.071747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.071747 (E_RNA)
where:
Base-Base interactions energy: -46.627
where: short stacking energy: -27.493
Base-Backbone interact. energy: -0.082
local terms energy: -51.362742
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -95.744677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.744677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.744677 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -44.744
Base-Backbone interact. energy: -0.007
local terms energy: -50.994435
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -7.838
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -84.215396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.215396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.215396 (E_RNA)
where:
Base-Base interactions energy: -30.465
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.292
local terms energy: -53.457949
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -4.470
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -89.340657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.340657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.340657 (E_RNA)
where:
Base-Base interactions energy: -44.286
where: short stacking energy: -33.849
Base-Backbone interact. energy: -0.231
local terms energy: -44.823065
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -7.772
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -6.279
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: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -81.540493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.540493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.540493 (E_RNA)
where:
Base-Base interactions energy: -32.658
where: short stacking energy: -27.764
Base-Backbone interact. energy: -1.075
local terms energy: -47.807763
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -0.969
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -221.893182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.893182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.893182 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.034
local terms energy: -75.957171
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -20.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -218.890745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.890745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.890745 (E_RNA)
where:
Base-Base interactions energy: -141.891
where: short stacking energy: -70.104
Base-Backbone interact. energy: -0.013
local terms energy: -76.986025
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -21.706
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -216.246318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.246318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.246318 (E_RNA)
where:
Base-Base interactions energy: -136.328
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.014
local terms energy: -79.904964
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -178.834949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.834949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.834949 (E_RNA)
where:
Base-Base interactions energy: -116.083
where: short stacking energy: -46.832
Base-Backbone interact. energy: -0.209
local terms energy: -62.542670
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -11.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -194.327768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.327768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.327768 (E_RNA)
where:
Base-Base interactions energy: -119.312
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.068
local terms energy: -74.947095
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -16.918
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: 215
Temperature: 1.150000
Total energy: -109.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743275 (E_RNA)
where:
Base-Base interactions energy: -60.104
where: short stacking energy: -30.354
Base-Backbone interact. energy: -0.064
local terms energy: -49.575116
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -88.584238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.584238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.584238 (E_RNA)
where:
Base-Base interactions energy: -33.030
where: short stacking energy: -21.840
Base-Backbone interact. energy: -0.220
local terms energy: -55.334451
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -86.230412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.230412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.230412 (E_RNA)
where:
Base-Base interactions energy: -30.010
where: short stacking energy: -25.216
Base-Backbone interact. energy: -0.447
local terms energy: -55.773029
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -78.272457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.272457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.272457 (E_RNA)
where:
Base-Base interactions energy: -34.065
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.069
local terms energy: -44.138290
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -3.975
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -81.173625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.173625 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -18.570
Base-Backbone interact. energy: -0.134
local terms energy: -56.751193
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -227.825351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.825351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.825351 (E_RNA)
where:
Base-Base interactions energy: -150.692
where: short stacking energy: -72.707
Base-Backbone interact. energy: -0.748
local terms energy: -76.385519
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -215.221685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.221685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.221685 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.020
local terms energy: -76.836947
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -22.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -186.939105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.939105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.939105 (E_RNA)
where:
Base-Base interactions energy: -123.807
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.204
local terms energy: -62.928237
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -203.993763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993763 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -70.066
Base-Backbone interact. energy: -0.059
local terms energy: -75.374679
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -23.305
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -199.174224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.174224 (E_RNA)
where:
Base-Base interactions energy: -129.302
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.158
local terms energy: -69.713865
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -5.102
tors. eta vs tors. theta energy: -19.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -109.703415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.703415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.703415 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -39.359
Base-Backbone interact. energy: 2.166
local terms energy: -56.802753
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -6.100
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: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -102.304400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.304400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.304400 (E_RNA)
where:
Base-Base interactions energy: -48.536
where: short stacking energy: -24.914
Base-Backbone interact. energy: -0.142
local terms energy: -53.626264
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -4.859
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: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -79.189812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.189812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.189812 (E_RNA)
where:
Base-Base interactions energy: -40.384
where: short stacking energy: -24.256
Base-Backbone interact. energy: -0.445
local terms energy: -38.360105
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -2.550
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -79.755903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.755903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.755903 (E_RNA)
where:
Base-Base interactions energy: -33.158
where: short stacking energy: -33.158
Base-Backbone interact. energy: -0.010
local terms energy: -46.587648
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -1.587
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: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -82.226846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.226846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.226846 (E_RNA)
where:
Base-Base interactions energy: -25.466
where: short stacking energy: -22.904
Base-Backbone interact. energy: 0.522
local terms energy: -57.282723
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -5.680
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: 6
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -218.566305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.566305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.566305 (E_RNA)
where:
Base-Base interactions energy: -133.646
where: short stacking energy: -68.512
Base-Backbone interact. energy: -0.014
local terms energy: -84.906058
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -23.954
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: 217
Temperature: 0.950000
Total energy: -219.405176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.405176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.405176 (E_RNA)
where:
Base-Base interactions energy: -143.230
where: short stacking energy: -76.676
Base-Backbone interact. energy: -0.472
local terms energy: -75.703301
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -198.175330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.175330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.175330 (E_RNA)
where:
Base-Base interactions energy: -126.364
where: short stacking energy: -55.790
Base-Backbone interact. energy: -0.489
local terms energy: -71.321943
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -185.684383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.684383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.684383 (E_RNA)
where:
Base-Base interactions energy: -120.217
where: short stacking energy: -59.457
Base-Backbone interact. energy: -0.044
local terms energy: -65.423935
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -11.875
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: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -201.072285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.072285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.072285 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -67.192
Base-Backbone interact. energy: -0.488
local terms energy: -74.382366
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -116.926222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.926222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.926222 (E_RNA)
where:
Base-Base interactions energy: -69.512
where: short stacking energy: -29.326
Base-Backbone interact. energy: -0.498
local terms energy: -46.916016
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: 0.662
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: 217
Temperature: 1.200000
Total energy: -104.700703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.700703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.700703 (E_RNA)
where:
Base-Base interactions energy: -52.309
where: short stacking energy: -38.733
Base-Backbone interact. energy: -0.007
local terms energy: -52.385059
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -4.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -88.957949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.957949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.957949 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.164
local terms energy: -50.965718
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -5.561
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -81.731633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731633 (E_RNA)
where:
Base-Base interactions energy: -38.115
where: short stacking energy: -28.568
Base-Backbone interact. energy: -0.378
local terms energy: -43.238502
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -1.812
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: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -79.730934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.730934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.730934 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.110
local terms energy: -51.403020
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -216.665384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.665384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.665384 (E_RNA)
where:
Base-Base interactions energy: -140.602
where: short stacking energy: -67.770
Base-Backbone interact. energy: -0.126
local terms energy: -75.937560
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -224.056290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.056290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.056290 (E_RNA)
where:
Base-Base interactions energy: -140.420
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.271
local terms energy: -83.364729
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -21.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -204.308799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.308799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.308799 (E_RNA)
where:
Base-Base interactions energy: -129.483
where: short stacking energy: -67.151
Base-Backbone interact. energy: -0.010
local terms energy: -74.816417
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -21.432
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: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -189.757540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.757540 (E_RNA)
where:
Base-Base interactions energy: -128.760
where: short stacking energy: -59.457
Base-Backbone interact. energy: 1.417
local terms energy: -62.414764
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -14.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -197.859294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.859294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.859294 (E_RNA)
where:
Base-Base interactions energy: -128.766
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.004
local terms energy: -69.089175
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -119.528992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.528992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.528992 (E_RNA)
where:
Base-Base interactions energy: -64.996
where: short stacking energy: -29.495
Base-Backbone interact. energy: -1.043
local terms energy: -53.490194
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -100.906553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.906553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.906553 (E_RNA)
where:
Base-Base interactions energy: -40.017
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.125
local terms energy: -60.764581
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -7.728
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: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -84.152908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152908 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -27.758
Base-Backbone interact. energy: -0.067
local terms energy: -56.328070
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -69.806576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.806576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.806576 (E_RNA)
where:
Base-Base interactions energy: -27.161
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.401
local terms energy: -42.244601
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.868
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -3.461
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -102.190987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.190987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.190987 (E_RNA)
where:
Base-Base interactions energy: -52.608
where: short stacking energy: -52.608
Base-Backbone interact. energy: -0.000
local terms energy: -49.582161
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -4.872
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -4.846
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -221.257864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.257864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.257864 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -76.121
Base-Backbone interact. energy: 0.019
local terms energy: -79.038922
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -21.625
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: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -222.933616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.933616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.933616 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -69.873
Base-Backbone interact. energy: 0.249
local terms energy: -85.559274
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -214.933980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.933980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.933980 (E_RNA)
where:
Base-Base interactions energy: -142.909
where: short stacking energy: -67.107
Base-Backbone interact. energy: -0.037
local terms energy: -71.988098
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -207.147096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.147096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.147096 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -60.534
Base-Backbone interact. energy: -0.007
local terms energy: -74.378870
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.831
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: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -210.657396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.657396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.657396 (E_RNA)
where:
Base-Base interactions energy: -134.427
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.124
local terms energy: -76.105902
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -10.017
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -23.065
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -92.105068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.105068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.105068 (E_RNA)
where:
Base-Base interactions energy: -41.179
where: short stacking energy: -24.421
Base-Backbone interact. energy: 0.095
local terms energy: -51.021942
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.830
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: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -113.117873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.117873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.117873 (E_RNA)
where:
Base-Base interactions energy: -55.161
where: short stacking energy: -31.565
Base-Backbone interact. energy: -1.496
local terms energy: -56.461111
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -91.503594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503594 (E_RNA)
where:
Base-Base interactions energy: -40.401
where: short stacking energy: -40.324
Base-Backbone interact. energy: -0.060
local terms energy: -51.042038
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -9.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -83.567281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567281 (E_RNA)
where:
Base-Base interactions energy: -30.140
where: short stacking energy: -26.462
Base-Backbone interact. energy: 0.455
local terms energy: -53.882526
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -73.449693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.449693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.449693 (E_RNA)
where:
Base-Base interactions energy: -27.936
where: short stacking energy: -19.332
Base-Backbone interact. energy: -0.096
local terms energy: -45.418001
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: 1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -216.749789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.749789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.749789 (E_RNA)
where:
Base-Base interactions energy: -135.027
where: short stacking energy: -62.973
Base-Backbone interact. energy: -0.003
local terms energy: -81.720177
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -219.172537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.172537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.172537 (E_RNA)
where:
Base-Base interactions energy: -139.680
where: short stacking energy: -72.081
Base-Backbone interact. energy: -0.108
local terms energy: -79.383816
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -208.106790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.106790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.106790 (E_RNA)
where:
Base-Base interactions energy: -133.031
where: short stacking energy: -66.671
Base-Backbone interact. energy: -1.032
local terms energy: -74.043153
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -17.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -200.591510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.591510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.591510 (E_RNA)
where:
Base-Base interactions energy: -134.079
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.015
local terms energy: -66.496819
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -209.987741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.987741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.987741 (E_RNA)
where:
Base-Base interactions energy: -144.639
where: short stacking energy: -74.090
Base-Backbone interact. energy: -0.046
local terms energy: -65.302051
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -9.804
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -100.026879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.026879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.026879 (E_RNA)
where:
Base-Base interactions energy: -39.499
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.721
local terms energy: -59.806047
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -8.331
tors. eta vs tors. theta energy: -5.743
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: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -89.370421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.370421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.370421 (E_RNA)
where:
Base-Base interactions energy: -35.081
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.125
local terms energy: -54.164569
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.023830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.023830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.023830 (E_RNA)
where:
Base-Base interactions energy: -28.767
where: short stacking energy: -28.767
Base-Backbone interact. energy: 0.015
local terms energy: -55.271367
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -5.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.813889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.813889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.813889 (E_RNA)
where:
Base-Base interactions energy: -32.554
where: short stacking energy: -28.562
Base-Backbone interact. energy: -0.798
local terms energy: -52.461424
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -7.280
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: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -90.011954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.011954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.011954 (E_RNA)
where:
Base-Base interactions energy: -35.906
where: short stacking energy: -34.125
Base-Backbone interact. energy: -0.066
local terms energy: -54.039603
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -4.881
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: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -223.867957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867957 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -74.994
Base-Backbone interact. energy: -0.625
local terms energy: -77.538098
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.741
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: 2, replica: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -212.742344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.742344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.742344 (E_RNA)
where:
Base-Base interactions energy: -133.857
where: short stacking energy: -68.109
Base-Backbone interact. energy: -0.338
local terms energy: -78.547073
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -205.313089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.313089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.313089 (E_RNA)
where:
Base-Base interactions energy: -131.672
where: short stacking energy: -66.313
Base-Backbone interact. energy: 0.651
local terms energy: -74.292660
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -208.576207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.576207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.576207 (E_RNA)
where:
Base-Base interactions energy: -137.689
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.113
local terms energy: -70.774075
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -178.534236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.534236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.534236 (E_RNA)
where:
Base-Base interactions energy: -117.200
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.007
local terms energy: -61.327585
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -11.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -112.837963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.837963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.837963 (E_RNA)
where:
Base-Base interactions energy: -60.390
where: short stacking energy: -41.001
Base-Backbone interact. energy: 2.096
local terms energy: -54.543839
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.265
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -5.809
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: 221
Temperature: 1.200000
Total energy: -85.269311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.269311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.269311 (E_RNA)
where:
Base-Base interactions energy: -35.249
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.539
local terms energy: -49.481268
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -4.344
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: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -79.498396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.498396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.498396 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.148
local terms energy: -43.016320
where:
bonds (distance) C4'-P energy: -6.368
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -76.953365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.953365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.953365 (E_RNA)
where:
Base-Base interactions energy: -29.189
where: short stacking energy: -26.953
Base-Backbone interact. energy: 0.465
local terms energy: -48.229438
where:
bonds (distance) C4'-P energy: -6.685
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -76.699169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.699169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.699169 (E_RNA)
where:
Base-Base interactions energy: -27.235
where: short stacking energy: -23.837
Base-Backbone interact. energy: -0.118
local terms energy: -49.345964
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -217.071820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.071820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.071820 (E_RNA)
where:
Base-Base interactions energy: -141.086
where: short stacking energy: -76.340
Base-Backbone interact. energy: -0.501
local terms energy: -75.485710
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -211.801877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.801877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.801877 (E_RNA)
where:
Base-Base interactions energy: -138.344
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.099
local terms energy: -73.358775
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -21.099
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -213.198934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.198934 (E_RNA)
where:
Base-Base interactions energy: -138.826
where: short stacking energy: -72.406
Base-Backbone interact. energy: -0.298
local terms energy: -74.074564
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -19.000
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -178.694850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.694850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.694850 (E_RNA)
where:
Base-Base interactions energy: -103.477
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.014
local terms energy: -75.204191
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.717
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -16.985
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: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -203.512359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512359 (E_RNA)
where:
Base-Base interactions energy: -133.035
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.175
local terms energy: -70.302277
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -20.214
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: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -89.298673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.298673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.298673 (E_RNA)
where:
Base-Base interactions energy: -42.626
where: short stacking energy: -27.122
Base-Backbone interact. energy: -0.176
local terms energy: -46.497058
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -6.429
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -78.303137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.303137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.303137 (E_RNA)
where:
Base-Base interactions energy: -28.144
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.420
local terms energy: -49.739584
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.026
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: 8, replica: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -76.808304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.808304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.808304 (E_RNA)
where:
Base-Base interactions energy: -30.550
where: short stacking energy: -29.900
Base-Backbone interact. energy: 1.654
local terms energy: -47.911501
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -85.675461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675461 (E_RNA)
where:
Base-Base interactions energy: -38.353
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.325
local terms energy: -46.997393
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -67.745862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.745862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.745862 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -16.018
Base-Backbone interact. energy: 0.817
local terms energy: -44.875877
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.162
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -218.411983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.411983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.411983 (E_RNA)
where:
Base-Base interactions energy: -137.062
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.136
local terms energy: -81.213755
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -19.537
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -203.008826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.008826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.008826 (E_RNA)
where:
Base-Base interactions energy: -125.792
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.026
local terms energy: -77.190423
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -20.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -202.623496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.623496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.623496 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -65.985
Base-Backbone interact. energy: -0.010
local terms energy: -70.196274
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -205.119299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.119299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.119299 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.855
local terms energy: -68.685021
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -19.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -179.282508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.282508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.282508 (E_RNA)
where:
Base-Base interactions energy: -110.200
where: short stacking energy: -51.757
Base-Backbone interact. energy: -0.009
local terms energy: -69.072804
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -99.225185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.225185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.225185 (E_RNA)
where:
Base-Base interactions energy: -47.188
where: short stacking energy: -29.123
Base-Backbone interact. energy: -0.458
local terms energy: -51.579158
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -91.029012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.029012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.029012 (E_RNA)
where:
Base-Base interactions energy: -36.867
where: short stacking energy: -35.570
Base-Backbone interact. energy: -0.107
local terms energy: -54.055806
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -84.596702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.596702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.596702 (E_RNA)
where:
Base-Base interactions energy: -36.740
where: short stacking energy: -22.300
Base-Backbone interact. energy: 0.834
local terms energy: -48.690654
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: 0.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -84.645681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.645681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.645681 (E_RNA)
where:
Base-Base interactions energy: -37.143
where: short stacking energy: -25.074
Base-Backbone interact. energy: -0.239
local terms energy: -47.263484
where:
bonds (distance) C4'-P energy: -8.882
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -9.464
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -3.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -85.275968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.275968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.275968 (E_RNA)
where:
Base-Base interactions energy: -39.909
where: short stacking energy: -21.086
Base-Backbone interact. energy: 2.965
local terms energy: -48.332561
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -0.245
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: 224
Temperature: 0.900000
Total energy: -222.365380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.365380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.365380 (E_RNA)
where:
Base-Base interactions energy: -148.842
where: short stacking energy: -68.582
Base-Backbone interact. energy: -0.557
local terms energy: -72.966668
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -15.715
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -218.080955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.080955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.080955 (E_RNA)
where:
Base-Base interactions energy: -134.307
where: short stacking energy: -67.260
Base-Backbone interact. energy: -0.030
local terms energy: -83.744225
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -18.661
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: 224
Temperature: 1.000000
Total energy: -199.755476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.755476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.755476 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -64.918
Base-Backbone interact. energy: -0.584
local terms energy: -70.477333
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -187.776954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.776954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.776954 (E_RNA)
where:
Base-Base interactions energy: -126.864
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.102
local terms energy: -60.811261
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -148.405293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.405293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.405293 (E_RNA)
where:
Base-Base interactions energy: -86.867
where: short stacking energy: -51.082
Base-Backbone interact. energy: -0.429
local terms energy: -61.108825
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.191
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: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -96.615158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.615158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.615158 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.103
local terms energy: -62.115778
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -90.983535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983535 (E_RNA)
where:
Base-Base interactions energy: -37.436
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.052
local terms energy: -53.496018
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -93.711225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.711225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.711225 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.318
local terms energy: -59.036248
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -98.337238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.337238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.337238 (E_RNA)
where:
Base-Base interactions energy: -55.131
where: short stacking energy: -22.684
Base-Backbone interact. energy: -0.253
local terms energy: -42.953489
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -0.555
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: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -77.121136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.121136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.121136 (E_RNA)
where:
Base-Base interactions energy: -40.131
where: short stacking energy: -26.371
Base-Backbone interact. energy: -0.417
local terms energy: -36.573071
where:
bonds (distance) C4'-P energy: -9.680
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: 0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -219.136309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.136309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.136309 (E_RNA)
where:
Base-Base interactions energy: -141.813
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.094
local terms energy: -77.229156
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -221.258928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.258928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.258928 (E_RNA)
where:
Base-Base interactions energy: -140.884
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.796
local terms energy: -79.579577
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -202.251398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.251398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.251398 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.261
local terms energy: -73.947328
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -20.784
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: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -197.430878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.430878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.430878 (E_RNA)
where:
Base-Base interactions energy: -126.704
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.313
local terms energy: -70.413293
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -15.274
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: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -140.686254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.686254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.686254 (E_RNA)
where:
Base-Base interactions energy: -78.399
where: short stacking energy: -50.526
Base-Backbone interact. energy: 1.024
local terms energy: -63.311119
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -12.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -107.812488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.812488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.812488 (E_RNA)
where:
Base-Base interactions energy: -53.663
where: short stacking energy: -41.682
Base-Backbone interact. energy: -0.279
local terms energy: -53.870301
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -7.686
tors. eta vs tors. theta energy: -8.521
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: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -93.636264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.636264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.636264 (E_RNA)
where:
Base-Base interactions energy: -43.029
where: short stacking energy: -38.158
Base-Backbone interact. energy: 0.076
local terms energy: -50.682927
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -91.746020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746020 (E_RNA)
where:
Base-Base interactions energy: -34.055
where: short stacking energy: -19.403
Base-Backbone interact. energy: -0.686
local terms energy: -57.004660
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -85.603237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.603237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.603237 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -38.375
Base-Backbone interact. energy: -0.359
local terms energy: -43.281185
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -6.955
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -3.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -80.419155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.419155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.419155 (E_RNA)
where:
Base-Base interactions energy: -30.023
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.050
local terms energy: -50.346675
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -218.789727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.789727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.789727 (E_RNA)
where:
Base-Base interactions energy: -137.506
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.280
local terms energy: -81.003435
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -19.664
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: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -215.473832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.473832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.473832 (E_RNA)
where:
Base-Base interactions energy: -143.405
where: short stacking energy: -75.876
Base-Backbone interact. energy: -0.035
local terms energy: -72.033591
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -18.909
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: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -207.219593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.219593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.219593 (E_RNA)
where:
Base-Base interactions energy: -134.302
where: short stacking energy: -69.180
Base-Backbone interact. energy: 0.085
local terms energy: -73.002679
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -20.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -214.338124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.338124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.338124 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -68.198
Base-Backbone interact. energy: -0.018
local terms energy: -72.777810
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.941
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: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -155.701348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.701348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.701348 (E_RNA)
where:
Base-Base interactions energy: -95.945
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.217
local terms energy: -59.539657
where:
bonds (distance) C4'-P energy: -7.070
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -113.767384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.767384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.767384 (E_RNA)
where:
Base-Base interactions energy: -63.371
where: short stacking energy: -35.009
Base-Backbone interact. energy: -0.464
local terms energy: -49.932007
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -109.655709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.655709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.655709 (E_RNA)
where:
Base-Base interactions energy: -52.514
where: short stacking energy: -45.849
Base-Backbone interact. energy: -0.089
local terms energy: -57.052424
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -87.609267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.609267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.609267 (E_RNA)
where:
Base-Base interactions energy: -32.299
where: short stacking energy: -32.299
Base-Backbone interact. energy: -0.103
local terms energy: -55.206584
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -89.724545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.724545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.724545 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -35.964
Base-Backbone interact. energy: -0.239
local terms energy: -53.179752
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -10.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -82.031846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.031846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.031846 (E_RNA)
where:
Base-Base interactions energy: -26.740
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.684
local terms energy: -54.607524
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -7.686
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: 227
Temperature: 0.900000
Total energy: -223.144645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.144645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.144645 (E_RNA)
where:
Base-Base interactions energy: -148.044
where: short stacking energy: -77.812
Base-Backbone interact. energy: -0.059
local terms energy: -75.041401
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -11.921
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -214.510848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.510848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510848 (E_RNA)
where:
Base-Base interactions energy: -135.605
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.073
local terms energy: -78.832804
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -212.207404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.207404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.207404 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -70.556
Base-Backbone interact. energy: -0.023
local terms energy: -75.312714
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -211.587079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.587079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.587079 (E_RNA)
where:
Base-Base interactions energy: -137.113
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.027
local terms energy: -74.447490
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -151.451905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.451905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.451905 (E_RNA)
where:
Base-Base interactions energy: -84.315
where: short stacking energy: -48.050
Base-Backbone interact. energy: -0.416
local terms energy: -66.720400
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -90.920525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.920525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.920525 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -28.919
Base-Backbone interact. energy: -0.166
local terms energy: -60.525614
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -94.118029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118029 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.120
local terms energy: -53.721442
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -82.753340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.753340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.753340 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.129
local terms energy: -51.144608
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: 0.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -88.710597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710597 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -35.975
Base-Backbone interact. energy: -0.005
local terms energy: -52.730456
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -5.630
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: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -74.746912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.746912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.746912 (E_RNA)
where:
Base-Base interactions energy: -22.623
where: short stacking energy: -17.669
Base-Backbone interact. energy: -0.075
local terms energy: -52.048330
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: 4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -223.258101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.258101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.258101 (E_RNA)
where:
Base-Base interactions energy: -140.575
where: short stacking energy: -73.368
Base-Backbone interact. energy: -0.025
local terms energy: -82.658146
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -228.412635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.412635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.412635 (E_RNA)
where:
Base-Base interactions energy: -148.009
where: short stacking energy: -70.662
Base-Backbone interact. energy: -0.055
local terms energy: -80.348520
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -213.531664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.531664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.531664 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -71.350
Base-Backbone interact. energy: -0.199
local terms energy: -68.915630
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -19.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -211.515583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.515583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.515583 (E_RNA)
where:
Base-Base interactions energy: -130.455
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.107
local terms energy: -80.953386
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -147.854452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.854452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.854452 (E_RNA)
where:
Base-Base interactions energy: -89.327
where: short stacking energy: -39.359
Base-Backbone interact. energy: -0.567
local terms energy: -57.960181
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -100.462126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.462126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.462126 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -32.550
Base-Backbone interact. energy: 1.084
local terms energy: -60.902166
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -7.472
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: 228
Temperature: 1.200000
Total energy: -88.255893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.255893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.255893 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -22.786
Base-Backbone interact. energy: -0.155
local terms energy: -55.463936
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -77.042582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.042582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.042582 (E_RNA)
where:
Base-Base interactions energy: -25.819
where: short stacking energy: -18.608
Base-Backbone interact. energy: -0.079
local terms energy: -51.144586
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.648
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -88.279202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.279202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.279202 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.233
local terms energy: -43.889197
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -8.045
flat angles P-C4'-P energy: -6.464
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: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -76.587914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587914 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.020
local terms energy: -42.889015
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -226.651258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.651258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.651258 (E_RNA)
where:
Base-Base interactions energy: -145.330
where: short stacking energy: -74.787
Base-Backbone interact. energy: 0.167
local terms energy: -81.488312
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -12.630
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: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -215.948754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.948754 (E_RNA)
where:
Base-Base interactions energy: -141.434
where: short stacking energy: -70.592
Base-Backbone interact. energy: 0.508
local terms energy: -75.022711
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -213.940657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.940657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.940657 (E_RNA)
where:
Base-Base interactions energy: -137.948
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.156
local terms energy: -75.836686
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -9.355
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: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -205.765448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.765448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.765448 (E_RNA)
where:
Base-Base interactions energy: -133.015
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.015
local terms energy: -72.735596
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -163.701143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.701143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.701143 (E_RNA)
where:
Base-Base interactions energy: -104.493
where: short stacking energy: -54.785
Base-Backbone interact. energy: 2.740
local terms energy: -61.948464
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -85.085605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.085605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.085605 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -30.427
Base-Backbone interact. energy: -0.190
local terms energy: -53.891182
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -3.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -96.190678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.190678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.190678 (E_RNA)
where:
Base-Base interactions energy: -49.665
where: short stacking energy: -24.880
Base-Backbone interact. energy: -0.764
local terms energy: -45.761222
where:
bonds (distance) C4'-P energy: -8.878
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -78.245966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.245966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.245966 (E_RNA)
where:
Base-Base interactions energy: -26.818
where: short stacking energy: -26.617
Base-Backbone interact. energy: -0.381
local terms energy: -51.046869
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -6.276
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: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -83.372777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372777 (E_RNA)
where:
Base-Base interactions energy: -36.732
where: short stacking energy: -32.464
Base-Backbone interact. energy: -0.121
local terms energy: -46.520419
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -78.306135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.306135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.306135 (E_RNA)
where:
Base-Base interactions energy: -33.672
where: short stacking energy: -23.676
Base-Backbone interact. energy: 0.088
local terms energy: -44.721800
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -7.615
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: 6
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -224.175268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.175268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.175268 (E_RNA)
where:
Base-Base interactions energy: -146.185
where: short stacking energy: -79.491
Base-Backbone interact. energy: -0.045
local terms energy: -77.945737
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -223.940257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.940257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.940257 (E_RNA)
where:
Base-Base interactions energy: -148.628
where: short stacking energy: -72.645
Base-Backbone interact. energy: -0.058
local terms energy: -75.254640
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -197.757953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.757953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.757953 (E_RNA)
where:
Base-Base interactions energy: -129.962
where: short stacking energy: -56.748
Base-Backbone interact. energy: -0.774
local terms energy: -67.021521
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -19.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -206.327571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.327571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.327571 (E_RNA)
where:
Base-Base interactions energy: -130.245
where: short stacking energy: -69.345
Base-Backbone interact. energy: -0.081
local terms energy: -76.002230
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -11.141
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: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -166.531778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.531778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.531778 (E_RNA)
where:
Base-Base interactions energy: -105.415
where: short stacking energy: -44.400
Base-Backbone interact. energy: -0.236
local terms energy: -60.880066
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -105.666666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.666666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.666666 (E_RNA)
where:
Base-Base interactions energy: -42.376
where: short stacking energy: -42.376
Base-Backbone interact. energy: -0.282
local terms energy: -63.008766
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -95.068973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.068973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.068973 (E_RNA)
where:
Base-Base interactions energy: -50.878
where: short stacking energy: -26.003
Base-Backbone interact. energy: 0.735
local terms energy: -44.926327
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -81.311562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.311562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.311562 (E_RNA)
where:
Base-Base interactions energy: -43.261
where: short stacking energy: -26.905
Base-Backbone interact. energy: -0.487
local terms energy: -37.563486
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -8.009
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: 4.319
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: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -85.928332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.928332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.928332 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -39.204
Base-Backbone interact. energy: 1.012
local terms energy: -47.736183
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -76.652855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.652855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.652855 (E_RNA)
where:
Base-Base interactions energy: -23.210
where: short stacking energy: -23.210
Base-Backbone interact. energy: -0.205
local terms energy: -53.237809
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -1.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -224.850977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.850977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.850977 (E_RNA)
where:
Base-Base interactions energy: -150.973
where: short stacking energy: -71.862
Base-Backbone interact. energy: -0.345
local terms energy: -73.533274
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -208.200521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.200521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.200521 (E_RNA)
where:
Base-Base interactions energy: -129.183
where: short stacking energy: -62.963
Base-Backbone interact. energy: -1.449
local terms energy: -77.568589
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -206.112169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.112169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.112169 (E_RNA)
where:
Base-Base interactions energy: -134.995
where: short stacking energy: -64.002
Base-Backbone interact. energy: -0.016
local terms energy: -71.101238
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -16.577
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: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -182.528871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.528871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.528871 (E_RNA)
where:
Base-Base interactions energy: -111.124
where: short stacking energy: -59.720
Base-Backbone interact. energy: 0.181
local terms energy: -71.585795
where:
bonds (distance) C4'-P energy: -13.440
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -172.958317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.958317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.958317 (E_RNA)
where:
Base-Base interactions energy: -113.769
where: short stacking energy: -50.801
Base-Backbone interact. energy: -0.207
local terms energy: -58.982915
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -11.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -96.084969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.084969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.084969 (E_RNA)
where:
Base-Base interactions energy: -51.537
where: short stacking energy: -35.665
Base-Backbone interact. energy: 0.016
local terms energy: -44.564084
where:
bonds (distance) C4'-P energy: -7.260
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -82.437308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.437308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.437308 (E_RNA)
where:
Base-Base interactions energy: -28.535
where: short stacking energy: -25.860
Base-Backbone interact. energy: -0.118
local terms energy: -53.783490
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -9.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -69.986845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.986845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.986845 (E_RNA)
where:
Base-Base interactions energy: -21.791
where: short stacking energy: -19.362
Base-Backbone interact. energy: -0.340
local terms energy: -47.855923
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: 5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -85.104684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.104684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.104684 (E_RNA)
where:
Base-Base interactions energy: -43.525
where: short stacking energy: -43.525
Base-Backbone interact. energy: -0.101
local terms energy: -41.478287
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -9.249
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -7.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -75.754160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.754160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.754160 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -22.747
Base-Backbone interact. energy: -0.037
local terms energy: -47.354584
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -5.843
tors. eta vs tors. theta energy: -6.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -218.728208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.728208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.728208 (E_RNA)
where:
Base-Base interactions energy: -141.180
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.115
local terms energy: -77.433732
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -221.697587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.697587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.697587 (E_RNA)
where:
Base-Base interactions energy: -142.577
where: short stacking energy: -78.798
Base-Backbone interact. energy: -0.053
local terms energy: -79.067352
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -212.613269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.613269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.613269 (E_RNA)
where:
Base-Base interactions energy: -135.072
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.003
local terms energy: -77.538066
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -191.821157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.821157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.821157 (E_RNA)
where:
Base-Base interactions energy: -115.120
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.253
local terms energy: -76.447900
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -183.154583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.154583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.154583 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.647
local terms energy: -55.705601
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -90.663158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663158 (E_RNA)
where:
Base-Base interactions energy: -31.658
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.138
local terms energy: -58.866454
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -3.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -91.277291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.277291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.277291 (E_RNA)
where:
Base-Base interactions energy: -34.056
where: short stacking energy: -27.727
Base-Backbone interact. energy: -0.155
local terms energy: -57.066198
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -78.085986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.085986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.085986 (E_RNA)
where:
Base-Base interactions energy: -30.531
where: short stacking energy: -17.034
Base-Backbone interact. energy: -0.478
local terms energy: -47.077392
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -0.703
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: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -78.858643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858643 (E_RNA)
where:
Base-Base interactions energy: -20.625
where: short stacking energy: -11.937
Base-Backbone interact. energy: 1.735
local terms energy: -59.968653
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -11.131
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -84.707845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.707845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.707845 (E_RNA)
where:
Base-Base interactions energy: -38.186
where: short stacking energy: -16.503
Base-Backbone interact. energy: -0.182
local terms energy: -46.340462
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/YFV-55368a0e_01
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -224.989279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.989279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.989279 (E_RNA)
where:
Base-Base interactions energy: -152.473
where: short stacking energy: -67.828
Base-Backbone interact. energy: 0.094
local terms energy: -72.610204
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -213.796970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.796970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.796970 (E_RNA)
where:
Base-Base interactions energy: -135.242
where: short stacking energy: -67.489
Base-Backbone interact. energy: -0.277
local terms energy: -78.278109
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -217.765731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.765731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.765731 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -72.741
Base-Backbone interact. energy: -0.012
local terms energy: -78.615082
where:
bonds (distance) C4'-P energy: -14.286
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.671
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -191.062351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.062351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.062351 (E_RNA)
where:
Base-Base interactions energy: -121.857
where: short stacking energy: -56.731
Base-Backbone interact. energy: -1.571
local terms energy: -67.635067
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -181.883356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.883356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.883356 (E_RNA)
where:
Base-Base interactions energy: -119.407
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.015
local terms energy: -62.461566
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -99.112910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.112910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.112910 (E_RNA)
where:
Base-Base interactions energy: -41.061
where: short stacking energy: -41.061
Base-Backbone interact. energy: -0.109
local terms energy: -57.942290
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -98.722113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.722113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.722113 (E_RNA)
where:
Base-Base interactions energy: -48.429
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.355
local terms energy: -49.938404
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -3.012
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: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -86.836406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836406 (E_RNA)
where:
Base-Base interactions energy: -37.505
where: short stacking energy: -37.505
Base-Backbone interact. energy: -0.197
local terms energy: -49.134798
where:
bonds (distance) C4'-P energy: -9.657
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -84.954151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.954151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.954151 (E_RNA)
where:
Base-Base interactions energy: -33.036
where: short stacking energy: -28.588
Base-Backbone interact. energy: 0.209
local terms energy: -52.127632
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -83.908121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908121 (E_RNA)
where:
Base-Base interactions energy: -37.644
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.206
local terms energy: -46.058582
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -3.826
tors. eta vs tors. theta energy: 0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -215.241157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.241157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.241157 (E_RNA)
where:
Base-Base interactions energy: -137.838
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.210
local terms energy: -77.192844
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -11.269
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: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -218.475479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.475479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.475479 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -76.301
Base-Backbone interact. energy: -0.020
local terms energy: -74.915520
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -214.080324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.080324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.080324 (E_RNA)
where:
Base-Base interactions energy: -140.678
where: short stacking energy: -71.358
Base-Backbone interact. energy: -0.059
local terms energy: -73.342400
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -205.480868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.480868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.480868 (E_RNA)
where:
Base-Base interactions energy: -129.815
where: short stacking energy: -67.242
Base-Backbone interact. energy: -0.008
local terms energy: -75.657429
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -20.131
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: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -191.501850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.501850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.501850 (E_RNA)
where:
Base-Base interactions energy: -124.964
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.342
local terms energy: -66.196532
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -91.285636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.285636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.285636 (E_RNA)
where:
Base-Base interactions energy: -35.378
where: short stacking energy: -35.378
Base-Backbone interact. energy: -0.458
local terms energy: -55.449185
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -83.773385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773385 (E_RNA)
where:
Base-Base interactions energy: -34.164
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.074
local terms energy: -49.535280
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -95.770614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.770614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.770614 (E_RNA)
where:
Base-Base interactions energy: -41.840
where: short stacking energy: -41.177
Base-Backbone interact. energy: -0.021
local terms energy: -53.909913
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -7.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -81.597356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.597356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.597356 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -27.755
Base-Backbone interact. energy: 0.402
local terms energy: -45.439983
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -72.098098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.098098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.098098 (E_RNA)
where:
Base-Base interactions energy: -30.977
where: short stacking energy: -19.797
Base-Backbone interact. energy: -0.069
local terms energy: -41.052696
where:
bonds (distance) C4'-P energy: -8.316
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: 1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -216.518786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.518786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.518786 (E_RNA)
where:
Base-Base interactions energy: -139.763
where: short stacking energy: -71.549
Base-Backbone interact. energy: -0.083
local terms energy: -76.673624
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -215.114368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.114368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114368 (E_RNA)
where:
Base-Base interactions energy: -134.735
where: short stacking energy: -71.649
Base-Backbone interact. energy: -0.398
local terms energy: -79.981447
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -190.868515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.868515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.868515 (E_RNA)
where:
Base-Base interactions energy: -118.851
where: short stacking energy: -60.374
Base-Backbone interact. energy: -1.366
local terms energy: -70.651971
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -18.400
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: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -200.629420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.629420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.629420 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -65.871
Base-Backbone interact. energy: -0.001
local terms energy: -73.017301
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -14.647
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -17.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -197.000569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.000569 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -61.286
Base-Backbone interact. energy: 1.269
local terms energy: -70.619678
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -19.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -124.333011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.333011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.333011 (E_RNA)
where:
Base-Base interactions energy: -71.104
where: short stacking energy: -38.846
Base-Backbone interact. energy: -0.438
local terms energy: -52.791032
where:
bonds (distance) C4'-P energy: -11.003
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -89.997813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.997813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.997813 (E_RNA)
where:
Base-Base interactions energy: -24.881
where: short stacking energy: -22.923
Base-Backbone interact. energy: -0.025
local terms energy: -65.091138
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -80.472036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.472036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.472036 (E_RNA)
where:
Base-Base interactions energy: -27.202
where: short stacking energy: -24.887
Base-Backbone interact. energy: -0.329
local terms energy: -52.941030
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -84.506496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.506496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.506496 (E_RNA)
where:
Base-Base interactions energy: -31.796
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.030
local terms energy: -52.680794
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -73.182800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.182800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.182800 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.092
local terms energy: -44.460065
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: 3.105
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -218.563050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.563050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.563050 (E_RNA)
where:
Base-Base interactions energy: -141.030
where: short stacking energy: -73.635
Base-Backbone interact. energy: -0.513
local terms energy: -77.020083
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -211.074934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.074934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.074934 (E_RNA)
where:
Base-Base interactions energy: -133.493
where: short stacking energy: -66.989
Base-Backbone interact. energy: -0.403
local terms energy: -77.178978
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -214.169466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.169466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.169466 (E_RNA)
where:
Base-Base interactions energy: -137.407
where: short stacking energy: -70.876
Base-Backbone interact. energy: -0.110
local terms energy: -76.652799
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -10.276
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: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -185.941063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.941063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.941063 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -58.068
Base-Backbone interact. energy: -0.100
local terms energy: -71.922409
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -183.702094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.702094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.702094 (E_RNA)
where:
Base-Base interactions energy: -113.690
where: short stacking energy: -55.827
Base-Backbone interact. energy: 0.257
local terms energy: -70.269129
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -151.200427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.200427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.200427 (E_RNA)
where:
Base-Base interactions energy: -89.138
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.048
local terms energy: -62.014427
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -105.490629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.490629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.490629 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.169
local terms energy: -60.164332
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -92.412470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.412470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.412470 (E_RNA)
where:
Base-Base interactions energy: -42.686
where: short stacking energy: -24.940
Base-Backbone interact. energy: -2.009
local terms energy: -47.717209
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -8.914
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -3.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -74.863240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.863240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.863240 (E_RNA)
where:
Base-Base interactions energy: -24.408
where: short stacking energy: -19.594
Base-Backbone interact. energy: -0.037
local terms energy: -50.417897
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -7.170
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -4.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -74.632538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.632538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.632538 (E_RNA)
where:
Base-Base interactions energy: -32.306
where: short stacking energy: -28.553
Base-Backbone interact. energy: -0.027
local terms energy: -42.300080
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -7.520
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -220.894819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.894819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.894819 (E_RNA)
where:
Base-Base interactions energy: -141.337
where: short stacking energy: -72.887
Base-Backbone interact. energy: -0.032
local terms energy: -79.525784
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -216.399151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.399151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.399151 (E_RNA)
where:
Base-Base interactions energy: -137.600
where: short stacking energy: -73.999
Base-Backbone interact. energy: -0.018
local terms energy: -78.781666
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -22.970
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -191.267563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.267563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.267563 (E_RNA)
where:
Base-Base interactions energy: -119.640
where: short stacking energy: -48.608
Base-Backbone interact. energy: -0.245
local terms energy: -71.383093
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -12.105
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: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -195.980241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.980241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.980241 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.013
local terms energy: -69.435918
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -187.601588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.601588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601588 (E_RNA)
where:
Base-Base interactions energy: -119.031
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.097
local terms energy: -68.473321
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -97.078870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.078870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.078870 (E_RNA)
where:
Base-Base interactions energy: -37.297
where: short stacking energy: -37.297
Base-Backbone interact. energy: -0.114
local terms energy: -59.667554
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.694
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: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -138.957759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.957759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.957759 (E_RNA)
where:
Base-Base interactions energy: -83.236
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.223
local terms energy: -55.499075
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -9.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -79.965321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.965321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.965321 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -25.567
Base-Backbone interact. energy: -0.124
local terms energy: -49.953534
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -82.610276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.610276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.610276 (E_RNA)
where:
Base-Base interactions energy: -32.715
where: short stacking energy: -22.381
Base-Backbone interact. energy: -0.276
local terms energy: -49.618587
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.029
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: 2.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -101.352122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.352122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.352122 (E_RNA)
where:
Base-Base interactions energy: -48.406
where: short stacking energy: -25.796
Base-Backbone interact. energy: -0.113
local terms energy: -52.833136
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -221.637398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.637398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.637398 (E_RNA)
where:
Base-Base interactions energy: -135.345
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.370
local terms energy: -85.922448
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -12.395
tors. eta vs tors. theta energy: -22.415
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: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -211.882377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.882377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.882377 (E_RNA)
where:
Base-Base interactions energy: -132.113
where: short stacking energy: -69.160
Base-Backbone interact. energy: -0.902
local terms energy: -78.867892
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -192.008982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.008982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.008982 (E_RNA)
where:
Base-Base interactions energy: -120.885
where: short stacking energy: -64.127
Base-Backbone interact. energy: -0.093
local terms energy: -71.031623
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -196.550705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.550705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.550705 (E_RNA)
where:
Base-Base interactions energy: -123.935
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.009
local terms energy: -72.606841
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -20.067
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: 238
Temperature: 1.100000
Total energy: -187.555133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.555133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.555133 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.137
local terms energy: -74.547862
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -15.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -96.867063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.867063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.867063 (E_RNA)
where:
Base-Base interactions energy: -40.835
where: short stacking energy: -40.835
Base-Backbone interact. energy: -0.077
local terms energy: -55.954486
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -8.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -92.731198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.731198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.731198 (E_RNA)
where:
Base-Base interactions energy: -39.838
where: short stacking energy: -39.838
Base-Backbone interact. energy: -0.082
local terms energy: -52.810979
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.975068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.975068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.975068 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -21.516
Base-Backbone interact. energy: 1.227
local terms energy: -54.773285
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -5.257
tors. eta vs tors. theta energy: -6.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -77.050476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.050476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.050476 (E_RNA)
where:
Base-Base interactions energy: -29.520
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.152
local terms energy: -47.378439
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -1.779
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: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -77.755249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.755249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.755249 (E_RNA)
where:
Base-Base interactions energy: -29.960
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.267
local terms energy: -47.528513
where:
bonds (distance) C4'-P energy: -9.065
bonds (distance) P-C4' energy: -14.674
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -3.120
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -217.288062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.288062 (E_RNA)
where:
Base-Base interactions energy: -136.352
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.317
local terms energy: -80.619222
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -21.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -204.446927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.446927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.446927 (E_RNA)
where:
Base-Base interactions energy: -135.525
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.243
local terms energy: -68.678963
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -18.583
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: 4
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -216.602369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.602369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.602369 (E_RNA)
where:
Base-Base interactions energy: -134.813
where: short stacking energy: -73.601
Base-Backbone interact. energy: -0.494
local terms energy: -81.295353
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -189.777064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.777064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.777064 (E_RNA)
where:
Base-Base interactions energy: -113.923
where: short stacking energy: -63.116
Base-Backbone interact. energy: -0.000
local terms energy: -75.854279
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -18.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -204.533712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.533712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.533712 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -67.613
Base-Backbone interact. energy: -0.382
local terms energy: -74.895798
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.877
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: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -108.521828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.521828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.521828 (E_RNA)
where:
Base-Base interactions energy: -42.409
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.001
local terms energy: -66.111454
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -11.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -85.107199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.107199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.107199 (E_RNA)
where:
Base-Base interactions energy: -33.079
where: short stacking energy: -28.716
Base-Backbone interact. energy: -0.209
local terms energy: -51.819505
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -2.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -80.878737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.878737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.878737 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.084
local terms energy: -45.124477
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -5.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -74.322870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.322870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.322870 (E_RNA)
where:
Base-Base interactions energy: -21.600
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.372
local terms energy: -52.350686
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: 0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -82.343027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.343027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.343027 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.164
local terms energy: -48.392823
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -1.826
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -224.091602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.091602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.091602 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -69.479
Base-Backbone interact. energy: -0.140
local terms energy: -77.298912
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -18.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -203.264041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.264041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.264041 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.053
local terms energy: -72.393179
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -191.259521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259521 (E_RNA)
where:
Base-Base interactions energy: -126.635
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.017
local terms energy: -64.606627
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -9.863
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: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -199.526765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.526765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.526765 (E_RNA)
where:
Base-Base interactions energy: -130.454
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.316
local terms energy: -68.756938
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -199.907288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.907288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.907288 (E_RNA)
where:
Base-Base interactions energy: -130.291
where: short stacking energy: -66.385
Base-Backbone interact. energy: -0.025
local terms energy: -69.591682
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -7.945
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: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -101.105621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.105621 (E_RNA)
where:
Base-Base interactions energy: -52.634
where: short stacking energy: -34.004
Base-Backbone interact. energy: -0.539
local terms energy: -47.932293
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -5.607
flat angles P-C4'-P energy: -3.883
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -103.311671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311671 (E_RNA)
where:
Base-Base interactions energy: -41.387
where: short stacking energy: -40.556
Base-Backbone interact. energy: -0.054
local terms energy: -61.870573
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -86.965178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.965178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.965178 (E_RNA)
where:
Base-Base interactions energy: -30.850
where: short stacking energy: -30.850
Base-Backbone interact. energy: -0.043
local terms energy: -56.072014
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -1.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -75.430125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.430125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.430125 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -21.651
Base-Backbone interact. energy: -0.513
local terms energy: -44.447412
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: 4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -72.331241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.331241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.331241 (E_RNA)
where:
Base-Base interactions energy: -31.032
where: short stacking energy: -23.363
Base-Backbone interact. energy: -0.038
local terms energy: -41.261529
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -224.050106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.050106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.050106 (E_RNA)
where:
Base-Base interactions energy: -143.308
where: short stacking energy: -70.339
Base-Backbone interact. energy: -0.043
local terms energy: -80.699199
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -209.058959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.058959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.058959 (E_RNA)
where:
Base-Base interactions energy: -138.388
where: short stacking energy: -65.971
Base-Backbone interact. energy: -0.345
local terms energy: -70.325910
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -209.265207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.265207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.265207 (E_RNA)
where:
Base-Base interactions energy: -137.369
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.432
local terms energy: -71.464306
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -17.141
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: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -180.997838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.997838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.997838 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -52.900
Base-Backbone interact. energy: -0.012
local terms energy: -65.122954
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -15.023
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: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -191.504156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.504156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.504156 (E_RNA)
where:
Base-Base interactions energy: -122.789
where: short stacking energy: -61.470
Base-Backbone interact. energy: -0.005
local terms energy: -68.709521
where:
bonds (distance) C4'-P energy: -9.387
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -108.063841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.063841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.063841 (E_RNA)
where:
Base-Base interactions energy: -51.111
where: short stacking energy: -32.004
Base-Backbone interact. energy: -0.565
local terms energy: -56.388173
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -94.721673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721673 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -42.285
Base-Backbone interact. energy: -0.170
local terms energy: -51.418299
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -8.783
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -8.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -80.561396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.561396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.561396 (E_RNA)
where:
Base-Base interactions energy: -30.013
where: short stacking energy: -17.639
Base-Backbone interact. energy: 0.732
local terms energy: -51.280775
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.130
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -77.453813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.453813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.453813 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -31.030
Base-Backbone interact. energy: 0.114
local terms energy: -46.934799
where:
bonds (distance) C4'-P energy: -10.738
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -8.116
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: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -80.251287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251287 (E_RNA)
where:
Base-Base interactions energy: -42.017
where: short stacking energy: -19.658
Base-Backbone interact. energy: -0.554
local terms energy: -37.680613
where:
bonds (distance) C4'-P energy: -8.780
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: 4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -222.139338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.139338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.139338 (E_RNA)
where:
Base-Base interactions energy: -142.427
where: short stacking energy: -73.426
Base-Backbone interact. energy: -0.083
local terms energy: -79.629332
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -12.585
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -221.728409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.728409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.728409 (E_RNA)
where:
Base-Base interactions energy: -142.041
where: short stacking energy: -73.876
Base-Backbone interact. energy: -0.033
local terms energy: -79.654589
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -198.005521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.005521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.005521 (E_RNA)
where:
Base-Base interactions energy: -129.408
where: short stacking energy: -72.382
Base-Backbone interact. energy: -0.003
local terms energy: -68.593952
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -197.871057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.871057 (E_RNA)
where:
Base-Base interactions energy: -123.757
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.754
local terms energy: -73.359973
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -193.973724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.973724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.973724 (E_RNA)
where:
Base-Base interactions energy: -125.007
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.082
local terms energy: -68.885025
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -20.009
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: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -91.499062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.499062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.499062 (E_RNA)
where:
Base-Base interactions energy: -31.423
where: short stacking energy: -31.423
Base-Backbone interact. energy: -0.030
local terms energy: -60.046163
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -8.135
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: 10
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -96.421887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.421887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.421887 (E_RNA)
where:
Base-Base interactions energy: -41.080
where: short stacking energy: -37.781
Base-Backbone interact. energy: -0.031
local terms energy: -55.310706
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -87.524607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.524607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.524607 (E_RNA)
where:
Base-Base interactions energy: -31.297
where: short stacking energy: -33.197
Base-Backbone interact. energy: 0.579
local terms energy: -56.806121
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -14.012
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: 9, replica: 7
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -73.068129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.068129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.068129 (E_RNA)
where:
Base-Base interactions energy: -25.967
where: short stacking energy: -23.217
Base-Backbone interact. energy: 0.555
local terms energy: -47.656166
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -0.617
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: 5
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -91.122490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.122490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.122490 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.559
local terms energy: -51.989476
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -225.539928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539928 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -70.684
Base-Backbone interact. energy: -0.266
local terms energy: -84.020534
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -19.664
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: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -203.648745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648745 (E_RNA)
where:
Base-Base interactions energy: -131.343
where: short stacking energy: -67.293
Base-Backbone interact. energy: -0.010
local terms energy: -72.295791
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -214.814338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814338 (E_RNA)
where:
Base-Base interactions energy: -138.083
where: short stacking energy: -71.205
Base-Backbone interact. energy: 0.255
local terms energy: -76.986708
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -21.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -207.548556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.548556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.548556 (E_RNA)
where:
Base-Base interactions energy: -136.408
where: short stacking energy: -69.904
Base-Backbone interact. energy: 0.129
local terms energy: -71.269606
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -208.318343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.318343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.318343 (E_RNA)
where:
Base-Base interactions energy: -137.269
where: short stacking energy: -67.728
Base-Backbone interact. energy: -0.028
local terms energy: -71.021982
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -103.529250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.529250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.529250 (E_RNA)
where:
Base-Base interactions energy: -46.896
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.019
local terms energy: -56.614605
where:
bonds (distance) C4'-P energy: -7.827
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -11.853
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: 10
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -96.902856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.902856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.902856 (E_RNA)
where:
Base-Base interactions energy: -46.564
where: short stacking energy: -34.498
Base-Backbone interact. energy: 0.232
local terms energy: -50.570689
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -7.129
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -6.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -86.730252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.730252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.730252 (E_RNA)
where:
Base-Base interactions energy: -24.801
where: short stacking energy: -24.801
Base-Backbone interact. energy: -0.087
local terms energy: -61.842167
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -7.696
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: 9, replica: 7
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -90.129081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129081 (E_RNA)
where:
Base-Base interactions energy: -36.553
where: short stacking energy: -34.927
Base-Backbone interact. energy: -0.067
local terms energy: -53.508548
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -74.816328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.816328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.816328 (E_RNA)
where:
Base-Base interactions energy: -26.927
where: short stacking energy: -18.901
Base-Backbone interact. energy: 1.100
local terms energy: -48.989804
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.027
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -221.524587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.524587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524587 (E_RNA)
where:
Base-Base interactions energy: -138.823
where: short stacking energy: -74.908
Base-Backbone interact. energy: -0.021
local terms energy: -82.680727
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -24.360
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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -203.360973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.360973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.360973 (E_RNA)
where:
Base-Base interactions energy: -126.880
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.323
local terms energy: -76.158308
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -208.280763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280763 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.003
local terms energy: -75.383135
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -22.794
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: 244
Temperature: 1.050000
Total energy: -201.729639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.729639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.729639 (E_RNA)
where:
Base-Base interactions energy: -131.962
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.160
local terms energy: -69.608326
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -14.615
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -197.522132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.522132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.522132 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.972
local terms energy: -71.654570
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -18.293
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: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -116.089781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.089781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.089781 (E_RNA)
where:
Base-Base interactions energy: -54.508
where: short stacking energy: -44.239
Base-Backbone interact. energy: -0.101
local terms energy: -61.480987
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -15.899
tors. eta vs tors. theta energy: -12.486
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: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -88.514578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.514578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.514578 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -30.596
Base-Backbone interact. energy: -0.041
local terms energy: -44.875602
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -101.292004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.292004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.292004 (E_RNA)
where:
Base-Base interactions energy: -50.823
where: short stacking energy: -27.797
Base-Backbone interact. energy: -0.931
local terms energy: -49.537867
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -93.816877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.816877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.816877 (E_RNA)
where:
Base-Base interactions energy: -42.294
where: short stacking energy: -31.429
Base-Backbone interact. energy: 5.887
local terms energy: -57.409521
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -7.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -69.521264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.521264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.521264 (E_RNA)
where:
Base-Base interactions energy: -23.630
where: short stacking energy: -15.946
Base-Backbone interact. energy: -1.454
local terms energy: -44.437486
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -222.743929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.743929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.743929 (E_RNA)
where:
Base-Base interactions energy: -141.209
where: short stacking energy: -72.712
Base-Backbone interact. energy: -0.022
local terms energy: -81.512439
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -202.727687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.727687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.727687 (E_RNA)
where:
Base-Base interactions energy: -130.369
where: short stacking energy: -60.336
Base-Backbone interact. energy: -0.174
local terms energy: -72.185122
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -7.488
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: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -203.492077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.492077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.492077 (E_RNA)
where:
Base-Base interactions energy: -132.618
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.048
local terms energy: -70.826201
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -15.999
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: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -197.312866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.312866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.312866 (E_RNA)
where:
Base-Base interactions energy: -125.224
where: short stacking energy: -62.565
Base-Backbone interact. energy: -0.045
local terms energy: -72.043552
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -14.328
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -195.714246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.714246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.714246 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -60.899
Base-Backbone interact. energy: -0.228
local terms energy: -65.163314
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -15.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -96.888640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.888640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.888640 (E_RNA)
where:
Base-Base interactions energy: -45.194
where: short stacking energy: -38.227
Base-Backbone interact. energy: -0.113
local terms energy: -51.581550
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -96.981032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.981032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.981032 (E_RNA)
where:
Base-Base interactions energy: -49.864
where: short stacking energy: -41.205
Base-Backbone interact. energy: -0.311
local terms energy: -46.806079
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -2.837
tors. eta vs tors. theta energy: -7.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -85.694317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.694317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.694317 (E_RNA)
where:
Base-Base interactions energy: -34.741
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.431
local terms energy: -50.522603
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -91.898926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.898926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.898926 (E_RNA)
where:
Base-Base interactions energy: -31.639
where: short stacking energy: -27.867
Base-Backbone interact. energy: -0.090
local terms energy: -60.169906
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -7.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -80.419638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.419638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.419638 (E_RNA)
where:
Base-Base interactions energy: -29.322
where: short stacking energy: -27.581
Base-Backbone interact. energy: -0.076
local terms energy: -51.021806
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -5.509
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -221.206174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.206174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.206174 (E_RNA)
where:
Base-Base interactions energy: -144.881
where: short stacking energy: -79.840
Base-Backbone interact. energy: -0.006
local terms energy: -76.319189
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -200.587856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.587856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.587856 (E_RNA)
where:
Base-Base interactions energy: -131.572
where: short stacking energy: -59.541
Base-Backbone interact. energy: -0.284
local terms energy: -68.732634
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -205.785988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.785988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.785988 (E_RNA)
where:
Base-Base interactions energy: -133.834
where: short stacking energy: -62.777
Base-Backbone interact. energy: -0.394
local terms energy: -71.557466
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -195.696123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.696123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.696123 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -67.031
Base-Backbone interact. energy: -0.679
local terms energy: -69.435659
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -10.354
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: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -160.201359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.201359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.201359 (E_RNA)
where:
Base-Base interactions energy: -99.525
where: short stacking energy: -46.997
Base-Backbone interact. energy: 1.800
local terms energy: -62.476799
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -94.319257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.319257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.319257 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -31.120
Base-Backbone interact. energy: -0.065
local terms energy: -63.134797
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -12.010
tors. eta vs tors. theta energy: -8.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -119.331917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.331917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.331917 (E_RNA)
where:
Base-Base interactions energy: -64.279
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.435
local terms energy: -54.617477
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.775
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: 8, replica: 1
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -89.611986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.611986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.611986 (E_RNA)
where:
Base-Base interactions energy: -36.611
where: short stacking energy: -35.438
Base-Backbone interact. energy: -0.225
local terms energy: -52.776030
where:
bonds (distance) C4'-P energy: -8.231
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -80.616908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.616908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.616908 (E_RNA)
where:
Base-Base interactions energy: -31.062
where: short stacking energy: -30.923
Base-Backbone interact. energy: -0.193
local terms energy: -49.361812
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -84.944920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.944920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.944920 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -32.377
Base-Backbone interact. energy: -0.214
local terms energy: -51.188616
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -1.665
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -225.508423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.508423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.508423 (E_RNA)
where:
Base-Base interactions energy: -146.415
where: short stacking energy: -79.147
Base-Backbone interact. energy: -0.764
local terms energy: -78.328679
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -220.256068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.256068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.256068 (E_RNA)
where:
Base-Base interactions energy: -137.680
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.037
local terms energy: -82.539354
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -12.440
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: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -219.970554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.970554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.970554 (E_RNA)
where:
Base-Base interactions energy: -145.496
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.003
local terms energy: -74.470950
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -209.205469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205469 (E_RNA)
where:
Base-Base interactions energy: -129.208
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.027
local terms energy: -79.970606
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -156.614188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.614188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.614188 (E_RNA)
where:
Base-Base interactions energy: -94.759
where: short stacking energy: -45.598
Base-Backbone interact. energy: -1.929
local terms energy: -59.925927
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -9.627
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -11.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -95.560724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.560724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.560724 (E_RNA)
where:
Base-Base interactions energy: -42.391
where: short stacking energy: -41.934
Base-Backbone interact. energy: -0.081
local terms energy: -53.088955
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -80.593674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.593674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.593674 (E_RNA)
where:
Base-Base interactions energy: -27.480
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.279
local terms energy: -52.834813
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -81.520324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.520324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.520324 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -23.544
Base-Backbone interact. energy: -0.143
local terms energy: -51.111547
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -80.557434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.557434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.557434 (E_RNA)
where:
Base-Base interactions energy: -38.863
where: short stacking energy: -28.261
Base-Backbone interact. energy: -0.185
local terms energy: -41.510146
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -73.710518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.710518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.710518 (E_RNA)
where:
Base-Base interactions energy: -25.839
where: short stacking energy: -18.689
Base-Backbone interact. energy: -0.514
local terms energy: -47.357622
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: 0.846
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -231.156481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.156481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.156481 (E_RNA)
where:
Base-Base interactions energy: -144.279
where: short stacking energy: -76.120
Base-Backbone interact. energy: -0.053
local terms energy: -86.824328
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -214.462685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.462685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.462685 (E_RNA)
where:
Base-Base interactions energy: -142.836
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.097
local terms energy: -71.529314
where:
bonds (distance) C4'-P energy: -11.797
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -17.195
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -218.350796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.350796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.350796 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.348
local terms energy: -77.489768
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -201.777597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.777597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.777597 (E_RNA)
where:
Base-Base interactions energy: -135.263
where: short stacking energy: -66.216
Base-Backbone interact. energy: 1.727
local terms energy: -68.241576
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -163.368572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.368572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.368572 (E_RNA)
where:
Base-Base interactions energy: -95.811
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.053
local terms energy: -67.504539
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -95.541828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.541828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.541828 (E_RNA)
where:
Base-Base interactions energy: -41.424
where: short stacking energy: -41.226
Base-Backbone interact. energy: -0.100
local terms energy: -54.017574
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -6.956
flat angles P-C4'-P energy: -9.352
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: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -86.284067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.284067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.284067 (E_RNA)
where:
Base-Base interactions energy: -26.626
where: short stacking energy: -26.447
Base-Backbone interact. energy: -0.077
local terms energy: -59.581555
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -88.601304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.601304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.601304 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -35.651
Base-Backbone interact. energy: -0.075
local terms energy: -51.726935
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -96.566290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566290 (E_RNA)
where:
Base-Base interactions energy: -42.752
where: short stacking energy: -42.752
Base-Backbone interact. energy: -0.030
local terms energy: -53.784291
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -8.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -75.794998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.794998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.794998 (E_RNA)
where:
Base-Base interactions energy: -28.395
where: short stacking energy: -23.157
Base-Backbone interact. energy: 0.037
local terms energy: -47.436724
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -0.376
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -220.200643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.200643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.200643 (E_RNA)
where:
Base-Base interactions energy: -141.626
where: short stacking energy: -68.551
Base-Backbone interact. energy: -0.133
local terms energy: -78.441462
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -224.702163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.702163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.702163 (E_RNA)
where:
Base-Base interactions energy: -145.331
where: short stacking energy: -74.129
Base-Backbone interact. energy: -0.015
local terms energy: -79.355845
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -201.364556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.364556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.364556 (E_RNA)
where:
Base-Base interactions energy: -130.173
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.001
local terms energy: -71.190128
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -21.974
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: 9
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -205.675011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.675011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.675011 (E_RNA)
where:
Base-Base interactions energy: -133.072
where: short stacking energy: -68.008
Base-Backbone interact. energy: -0.087
local terms energy: -72.516266
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -6.237
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: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -157.602384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.602384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.602384 (E_RNA)
where:
Base-Base interactions energy: -95.646
where: short stacking energy: -51.415
Base-Backbone interact. energy: -0.466
local terms energy: -61.490339
where:
bonds (distance) C4'-P energy: -6.288
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -109.163747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.163747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.163747 (E_RNA)
where:
Base-Base interactions energy: -52.997
where: short stacking energy: -48.247
Base-Backbone interact. energy: -0.049
local terms energy: -56.118419
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -10.966
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: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -89.917808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917808 (E_RNA)
where:
Base-Base interactions energy: -34.285
where: short stacking energy: -28.285
Base-Backbone interact. energy: -0.270
local terms energy: -55.363019
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -83.949177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.949177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.949177 (E_RNA)
where:
Base-Base interactions energy: -30.062
where: short stacking energy: -29.903
Base-Backbone interact. energy: -0.223
local terms energy: -53.664097
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -5.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -78.876091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.876091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.876091 (E_RNA)
where:
Base-Base interactions energy: -25.033
where: short stacking energy: -19.609
Base-Backbone interact. energy: 0.590
local terms energy: -54.433201
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.520
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: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -74.667108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.667108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.667108 (E_RNA)
where:
Base-Base interactions energy: -30.558
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.246
local terms energy: -43.862532
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -215.573514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.573514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.573514 (E_RNA)
where:
Base-Base interactions energy: -135.054
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.064
local terms energy: -80.454848
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -12.766
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: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -223.780881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.780881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.780881 (E_RNA)
where:
Base-Base interactions energy: -146.418
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.141
local terms energy: -77.221650
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -19.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -217.285537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.285537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.285537 (E_RNA)
where:
Base-Base interactions energy: -143.910
where: short stacking energy: -70.046
Base-Backbone interact. energy: -0.075
local terms energy: -73.300909
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -203.121143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.121143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.121143 (E_RNA)
where:
Base-Base interactions energy: -130.754
where: short stacking energy: -73.429
Base-Backbone interact. energy: -0.001
local terms energy: -72.365785
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -19.949
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: 2
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -165.976041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.976041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.976041 (E_RNA)
where:
Base-Base interactions energy: -88.264
where: short stacking energy: -44.806
Base-Backbone interact. energy: -0.978
local terms energy: -76.734436
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -16.500
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -94.710453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.710453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.710453 (E_RNA)
where:
Base-Base interactions energy: -39.788
where: short stacking energy: -32.110
Base-Backbone interact. energy: -0.116
local terms energy: -54.806563
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -104.631953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.631953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.631953 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -32.853
Base-Backbone interact. energy: -0.951
local terms energy: -62.932333
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -87.146782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146782 (E_RNA)
where:
Base-Base interactions energy: -34.910
where: short stacking energy: -35.910
Base-Backbone interact. energy: -0.202
local terms energy: -52.034652
where:
bonds (distance) C4'-P energy: -8.042
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.704
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: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -87.808616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808616 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -28.113
Base-Backbone interact. energy: -0.716
local terms energy: -47.246878
where:
bonds (distance) C4'-P energy: -8.405
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -7.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -77.988967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.988967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.988967 (E_RNA)
where:
Base-Base interactions energy: -30.908
where: short stacking energy: -30.908
Base-Backbone interact. energy: -0.170
local terms energy: -46.910859
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -225.291106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.291106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.291106 (E_RNA)
where:
Base-Base interactions energy: -142.197
where: short stacking energy: -79.026
Base-Backbone interact. energy: -0.024
local terms energy: -83.070024
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -23.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -220.268819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.268819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.268819 (E_RNA)
where:
Base-Base interactions energy: -148.898
where: short stacking energy: -77.331
Base-Backbone interact. energy: -0.003
local terms energy: -71.367576
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.032
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: 3, replica: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -207.462568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.462568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.462568 (E_RNA)
where:
Base-Base interactions energy: -133.455
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.922
local terms energy: -73.085735
where:
bonds (distance) C4'-P energy: -8.314
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -200.621953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621953 (E_RNA)
where:
Base-Base interactions energy: -126.628
where: short stacking energy: -63.152
Base-Backbone interact. energy: -1.340
local terms energy: -72.653785
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -17.422
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: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -183.523624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523624 (E_RNA)
where:
Base-Base interactions energy: -122.446
where: short stacking energy: -56.877
Base-Backbone interact. energy: -0.217
local terms energy: -60.860861
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -98.702497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702497 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.092
local terms energy: -56.905124
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -97.986225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.986225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.986225 (E_RNA)
where:
Base-Base interactions energy: -54.075
where: short stacking energy: -45.319
Base-Backbone interact. energy: -0.438
local terms energy: -43.473212
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -11.003
flat angles P-C4'-P energy: -4.845
tors. eta vs tors. theta energy: -5.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -107.072163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.072163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.072163 (E_RNA)
where:
Base-Base interactions energy: -51.977
where: short stacking energy: -19.549
Base-Backbone interact. energy: -0.014
local terms energy: -55.081347
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.862
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: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -108.670419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.670419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.670419 (E_RNA)
where:
Base-Base interactions energy: -47.012
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.052
local terms energy: -61.606419
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -16.769
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: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.290145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.290145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.290145 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.169
local terms energy: -52.194067
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -3.803
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -222.368334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.368334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.368334 (E_RNA)
where:
Base-Base interactions energy: -143.660
where: short stacking energy: -75.360
Base-Backbone interact. energy: -0.036
local terms energy: -78.671733
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -24.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -217.474153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.474153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.474153 (E_RNA)
where:
Base-Base interactions energy: -139.676
where: short stacking energy: -75.965
Base-Backbone interact. energy: -0.165
local terms energy: -77.633023
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -22.050
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: 3, replica: 4
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -206.554127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.554127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.554127 (E_RNA)
where:
Base-Base interactions energy: -130.352
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.462
local terms energy: -75.739864
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -198.247549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.247549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.247549 (E_RNA)
where:
Base-Base interactions energy: -128.621
where: short stacking energy: -61.361
Base-Backbone interact. energy: -0.106
local terms energy: -69.520802
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -18.244
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: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -190.914422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.914422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.914422 (E_RNA)
where:
Base-Base interactions energy: -122.688
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.081
local terms energy: -68.145606
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -16.885
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: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -122.349022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.349022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.349022 (E_RNA)
where:
Base-Base interactions energy: -56.737
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.271
local terms energy: -65.340821
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -87.563540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.563540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.563540 (E_RNA)
where:
Base-Base interactions energy: -41.305
where: short stacking energy: -24.867
Base-Backbone interact. energy: 0.181
local terms energy: -46.439829
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -11.242
flat angles P-C4'-P energy: -8.229
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: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -79.473372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.473372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.473372 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -19.478
Base-Backbone interact. energy: 0.022
local terms energy: -52.263357
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -87.456820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.456820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.456820 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -28.481
Base-Backbone interact. energy: -0.111
local terms energy: -54.927430
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -11.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -80.602133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.602133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.602133 (E_RNA)
where:
Base-Base interactions energy: -32.049
where: short stacking energy: -22.187
Base-Backbone interact. energy: -0.205
local terms energy: -48.347929
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: 1.331
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -225.709995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.709995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.709995 (E_RNA)
where:
Base-Base interactions energy: -147.315
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.014
local terms energy: -78.380847
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -215.386247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.386247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.386247 (E_RNA)
where:
Base-Base interactions energy: -140.193
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.006
local terms energy: -75.187098
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -18.211
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: 253
Temperature: 1.000000
Total energy: -215.152969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.152969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.152969 (E_RNA)
where:
Base-Base interactions energy: -130.607
where: short stacking energy: -64.173
Base-Backbone interact. energy: -0.994
local terms energy: -83.552533
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -19.126
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -204.551065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.551065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.551065 (E_RNA)
where:
Base-Base interactions energy: -129.519
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.011
local terms energy: -75.021772
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -21.087
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: 9
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -190.600370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.600370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.600370 (E_RNA)
where:
Base-Base interactions energy: -121.104
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.241
local terms energy: -69.255367
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -107.598519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.598519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.598519 (E_RNA)
where:
Base-Base interactions energy: -51.229
where: short stacking energy: -50.146
Base-Backbone interact. energy: -0.006
local terms energy: -56.363947
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -9.493
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -10.143
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: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -95.150145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.150145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.150145 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -26.624
Base-Backbone interact. energy: -0.101
local terms energy: -56.154314
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -87.501463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.501463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.501463 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -28.879
Base-Backbone interact. energy: -0.220
local terms energy: -46.387229
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -6.738
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: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -73.410530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.410530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.410530 (E_RNA)
where:
Base-Base interactions energy: -20.673
where: short stacking energy: -19.962
Base-Backbone interact. energy: -0.207
local terms energy: -52.530275
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.219
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: 1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -77.010373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.010373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.010373 (E_RNA)
where:
Base-Base interactions energy: -33.046
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.383
local terms energy: -43.581724
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -222.717818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.717818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.717818 (E_RNA)
where:
Base-Base interactions energy: -143.441
where: short stacking energy: -71.161
Base-Backbone interact. energy: 0.142
local terms energy: -79.419050
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -215.112801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.112801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.112801 (E_RNA)
where:
Base-Base interactions energy: -140.722
where: short stacking energy: -69.836
Base-Backbone interact. energy: -0.055
local terms energy: -74.335251
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -21.391
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -213.841123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.841123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841123 (E_RNA)
where:
Base-Base interactions energy: -140.844
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.080
local terms energy: -72.917781
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: -19.889
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -186.775838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.775838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.775838 (E_RNA)
where:
Base-Base interactions energy: -126.232
where: short stacking energy: -59.795
Base-Backbone interact. energy: 0.374
local terms energy: -60.917910
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -115.652564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.652564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.652564 (E_RNA)
where:
Base-Base interactions energy: -54.590
where: short stacking energy: -35.827
Base-Backbone interact. energy: -0.103
local terms energy: -60.960171
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -175.136658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.136658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.136658 (E_RNA)
where:
Base-Base interactions energy: -118.319
where: short stacking energy: -57.420
Base-Backbone interact. energy: -0.368
local terms energy: -56.449724
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -106.670277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.670277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.670277 (E_RNA)
where:
Base-Base interactions energy: -42.275
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.097
local terms energy: -64.298304
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -95.083318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.083318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.083318 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -33.963
Base-Backbone interact. energy: -0.041
local terms energy: -61.079512
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -8.604
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -79.752663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.752663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.752663 (E_RNA)
where:
Base-Base interactions energy: -24.664
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.170
local terms energy: -54.919134
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -74.980883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.980883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.980883 (E_RNA)
where:
Base-Base interactions energy: -31.570
where: short stacking energy: -17.421
Base-Backbone interact. energy: -0.196
local terms energy: -43.215255
where:
bonds (distance) C4'-P energy: -10.672
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: -1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -220.345063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.345063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.345063 (E_RNA)
where:
Base-Base interactions energy: -137.322
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.880
local terms energy: -82.142572
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -222.365101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.365101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.365101 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -76.843
Base-Backbone interact. energy: -0.028
local terms energy: -80.321706
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -23.770
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: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -207.057150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.057150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.057150 (E_RNA)
where:
Base-Base interactions energy: -129.493
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.241
local terms energy: -77.323694
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -104.837997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.837997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.837997 (E_RNA)
where:
Base-Base interactions energy: -38.821
where: short stacking energy: -38.821
Base-Backbone interact. energy: -0.023
local terms energy: -65.994211
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -12.668
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: 255
Temperature: 1.100000
Total energy: -178.565999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.565999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.565999 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.618
local terms energy: -67.058692
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -153.411425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.411425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.411425 (E_RNA)
where:
Base-Base interactions energy: -92.856
where: short stacking energy: -52.256
Base-Backbone interact. energy: -0.095
local terms energy: -60.460311
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -105.674671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.674671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.674671 (E_RNA)
where:
Base-Base interactions energy: -55.876
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.211
local terms energy: -49.587611
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -10.255
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: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -95.742179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.742179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.742179 (E_RNA)
where:
Base-Base interactions energy: -38.688
where: short stacking energy: -32.098
Base-Backbone interact. energy: 0.505
local terms energy: -57.559146
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -89.865399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865399 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -32.784
Base-Backbone interact. energy: -0.834
local terms energy: -50.729231
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -3.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -77.074354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.074354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.074354 (E_RNA)
where:
Base-Base interactions energy: -24.197
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.156
local terms energy: -52.720938
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -4.407
tors. eta vs tors. theta energy: -5.127
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -221.704266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704266 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -69.232
Base-Backbone interact. energy: -0.700
local terms energy: -78.589172
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -23.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -215.943633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.943633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.943633 (E_RNA)
where:
Base-Base interactions energy: -139.267
where: short stacking energy: -63.614
Base-Backbone interact. energy: -0.004
local terms energy: -76.672257
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -14.140
tors. eta vs tors. theta energy: -18.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -198.344201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.344201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.344201 (E_RNA)
where:
Base-Base interactions energy: -131.978
where: short stacking energy: -64.953
Base-Backbone interact. energy: -0.026
local terms energy: -66.339658
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -125.005624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.005624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.005624 (E_RNA)
where:
Base-Base interactions energy: -55.863
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.116
local terms energy: -69.027240
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -167.348575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.348575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.348575 (E_RNA)
where:
Base-Base interactions energy: -110.735
where: short stacking energy: -53.023
Base-Backbone interact. energy: -1.314
local terms energy: -55.300348
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -129.772372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.772372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.772372 (E_RNA)
where:
Base-Base interactions energy: -70.325
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.761
local terms energy: -58.686183
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -8.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -110.489307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.489307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.489307 (E_RNA)
where:
Base-Base interactions energy: -53.145
where: short stacking energy: -39.696
Base-Backbone interact. energy: -0.191
local terms energy: -57.153187
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -96.051491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.051491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.051491 (E_RNA)
where:
Base-Base interactions energy: -44.377
where: short stacking energy: -34.406
Base-Backbone interact. energy: -0.363
local terms energy: -51.312017
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -8.063
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -6.915
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: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -93.677838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.677838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.677838 (E_RNA)
where:
Base-Base interactions energy: -34.987
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.091
local terms energy: -58.599911
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.327
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: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -76.236026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.236026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.236026 (E_RNA)
where:
Base-Base interactions energy: -38.257
where: short stacking energy: -20.123
Base-Backbone interact. energy: -0.264
local terms energy: -37.714582
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -5.338
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -222.870630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.870630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.870630 (E_RNA)
where:
Base-Base interactions energy: -142.011
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.018
local terms energy: -80.840923
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -219.774158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.774158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.774158 (E_RNA)
where:
Base-Base interactions energy: -136.973
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.001
local terms energy: -82.800294
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -20.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -211.300441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.300441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.300441 (E_RNA)
where:
Base-Base interactions energy: -134.429
where: short stacking energy: -72.361
Base-Backbone interact. energy: 4.299
local terms energy: -81.170904
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -12.960
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: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -177.790028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.790028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.790028 (E_RNA)
where:
Base-Base interactions energy: -110.607
where: short stacking energy: -52.665
Base-Backbone interact. energy: -0.124
local terms energy: -67.058871
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -99.719012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.719012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.719012 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -25.022
Base-Backbone interact. energy: -0.320
local terms energy: -55.558917
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -1.232
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: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -158.829725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.829725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.829725 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -57.874
Base-Backbone interact. energy: 0.359
local terms energy: -61.900529
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -96.104855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.104855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.104855 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -33.265
Base-Backbone interact. energy: -0.027
local terms energy: -52.545331
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -8.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -92.631300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.631300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.631300 (E_RNA)
where:
Base-Base interactions energy: -42.329
where: short stacking energy: -39.648
Base-Backbone interact. energy: -0.071
local terms energy: -50.230599
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -83.978713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978713 (E_RNA)
where:
Base-Base interactions energy: -34.015
where: short stacking energy: -28.139
Base-Backbone interact. energy: 2.078
local terms energy: -52.041891
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -4.587
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -72.032881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.032881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.032881 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.530
local terms energy: -43.033258
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -222.081994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.081994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.081994 (E_RNA)
where:
Base-Base interactions energy: -141.014
where: short stacking energy: -71.703
Base-Backbone interact. energy: 0.981
local terms energy: -82.049515
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -205.984760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.984760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.984760 (E_RNA)
where:
Base-Base interactions energy: -129.981
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.121
local terms energy: -75.882326
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -219.665867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.665867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.665867 (E_RNA)
where:
Base-Base interactions energy: -141.170
where: short stacking energy: -65.574
Base-Backbone interact. energy: -0.005
local terms energy: -78.490635
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -197.175673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.175673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.175673 (E_RNA)
where:
Base-Base interactions energy: -122.691
where: short stacking energy: -52.981
Base-Backbone interact. energy: -1.177
local terms energy: -73.307959
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -12.082
tors. eta vs tors. theta energy: -11.813
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: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -201.130868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.130868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.130868 (E_RNA)
where:
Base-Base interactions energy: -131.866
where: short stacking energy: -67.460
Base-Backbone interact. energy: 0.735
local terms energy: -70.000253
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -100.179693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.179693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.179693 (E_RNA)
where:
Base-Base interactions energy: -53.339
where: short stacking energy: -27.775
Base-Backbone interact. energy: -0.575
local terms energy: -46.264992
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -109.946927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.946927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.946927 (E_RNA)
where:
Base-Base interactions energy: -57.641
where: short stacking energy: -41.813
Base-Backbone interact. energy: -0.041
local terms energy: -52.265655
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -8.197
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: 258
Temperature: 1.250000
Total energy: -80.860492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.860492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.860492 (E_RNA)
where:
Base-Base interactions energy: -28.444
where: short stacking energy: -28.444
Base-Backbone interact. energy: -0.021
local terms energy: -52.394900
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -82.554162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.554162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.554162 (E_RNA)
where:
Base-Base interactions energy: -40.724
where: short stacking energy: -28.149
Base-Backbone interact. energy: -0.366
local terms energy: -41.463553
where:
bonds (distance) C4'-P energy: -9.131
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: 2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.067894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.067894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.067894 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -21.681
Base-Backbone interact. energy: -0.139
local terms energy: -46.923380
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: 0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -223.900269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.900269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.900269 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -73.469
Base-Backbone interact. energy: -0.007
local terms energy: -80.857464
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -11.205
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: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -212.428842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.428842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428842 (E_RNA)
where:
Base-Base interactions energy: -135.260
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.458
local terms energy: -76.710706
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -216.522744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.522744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.522744 (E_RNA)
where:
Base-Base interactions energy: -142.546
where: short stacking energy: -64.804
Base-Backbone interact. energy: -0.014
local terms energy: -73.962568
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -198.591598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.591598 (E_RNA)
where:
Base-Base interactions energy: -127.981
where: short stacking energy: -64.647
Base-Backbone interact. energy: -0.290
local terms energy: -70.320835
where:
bonds (distance) C4'-P energy: -7.374
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -12.035
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: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -194.779326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.779326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.779326 (E_RNA)
where:
Base-Base interactions energy: -120.144
where: short stacking energy: -54.271
Base-Backbone interact. energy: -0.246
local terms energy: -74.389576
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -106.003320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.003320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.003320 (E_RNA)
where:
Base-Base interactions energy: -45.752
where: short stacking energy: -32.765
Base-Backbone interact. energy: -0.295
local terms energy: -59.956466
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -93.353958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353958 (E_RNA)
where:
Base-Base interactions energy: -36.655
where: short stacking energy: -36.655
Base-Backbone interact. energy: -0.281
local terms energy: -56.418140
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -12.075
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: 8, replica: 3
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -83.097562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.097562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.097562 (E_RNA)
where:
Base-Base interactions energy: -35.998
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.735
local terms energy: -46.365106
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -1.963
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: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -81.539199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.539199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.539199 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -19.073
Base-Backbone interact. energy: 1.117
local terms energy: -41.558010
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -5.403
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -82.723462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723462 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -27.478
Base-Backbone interact. energy: -0.097
local terms energy: -55.030313
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -225.318182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.318182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.318182 (E_RNA)
where:
Base-Base interactions energy: -149.743
where: short stacking energy: -73.301
Base-Backbone interact. energy: 0.922
local terms energy: -76.497044
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -214.757025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.757025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.757025 (E_RNA)
where:
Base-Base interactions energy: -142.769
where: short stacking energy: -74.974
Base-Backbone interact. energy: -0.070
local terms energy: -71.917903
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -22.271
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: 6
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -213.446435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.446435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.446435 (E_RNA)
where:
Base-Base interactions energy: -140.063
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.027
local terms energy: -73.356911
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -194.959035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.959035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.959035 (E_RNA)
where:
Base-Base interactions energy: -124.430
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.747
local terms energy: -69.782328
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -177.334626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.334626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.334626 (E_RNA)
where:
Base-Base interactions energy: -112.196
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.108
local terms energy: -65.029947
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -106.548562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548562 (E_RNA)
where:
Base-Base interactions energy: -48.242
where: short stacking energy: -37.222
Base-Backbone interact. energy: -0.055
local terms energy: -58.251170
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -7.673
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.781
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: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -96.168539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.168539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.168539 (E_RNA)
where:
Base-Base interactions energy: -36.403
where: short stacking energy: -30.443
Base-Backbone interact. energy: -0.026
local terms energy: -59.740041
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -13.738
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: 8, replica: 3
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -83.116117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.116117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.116117 (E_RNA)
where:
Base-Base interactions energy: -37.620
where: short stacking energy: -26.804
Base-Backbone interact. energy: -0.194
local terms energy: -45.301531
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -7.359
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -83.704193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.704193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.704193 (E_RNA)
where:
Base-Base interactions energy: -26.223
where: short stacking energy: -22.927
Base-Backbone interact. energy: -0.025
local terms energy: -57.455727
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -75.107163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.107163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.107163 (E_RNA)
where:
Base-Base interactions energy: -31.892
where: short stacking energy: -28.145
Base-Backbone interact. energy: -0.434
local terms energy: -42.780793
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -8.756
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -222.866801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866801 (E_RNA)
where:
Base-Base interactions energy: -140.743
where: short stacking energy: -70.277
Base-Backbone interact. energy: -1.123
local terms energy: -81.000572
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -21.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -215.655311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.655311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.655311 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -70.532
Base-Backbone interact. energy: -0.902
local terms energy: -74.004006
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -209.861250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.861250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.861250 (E_RNA)
where:
Base-Base interactions energy: -130.713
where: short stacking energy: -62.984
Base-Backbone interact. energy: -0.092
local terms energy: -79.056675
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -195.233555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.233555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.233555 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.727
local terms energy: -78.725343
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -18.760
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: 261
Temperature: 1.100000
Total energy: -185.835693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.835693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.835693 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -59.787
Base-Backbone interact. energy: -1.124
local terms energy: -69.053035
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -111.623094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.623094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.623094 (E_RNA)
where:
Base-Base interactions energy: -50.882
where: short stacking energy: -42.548
Base-Backbone interact. energy: -0.431
local terms energy: -60.310370
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -10.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -90.871353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.871353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.871353 (E_RNA)
where:
Base-Base interactions energy: -33.194
where: short stacking energy: -25.213
Base-Backbone interact. energy: -0.100
local terms energy: -57.577276
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -99.324823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324823 (E_RNA)
where:
Base-Base interactions energy: -45.385
where: short stacking energy: -33.009
Base-Backbone interact. energy: -0.095
local terms energy: -53.844265
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -86.768661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.768661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.768661 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -25.757
Base-Backbone interact. energy: -0.187
local terms energy: -51.570893
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -3.288
tors. eta vs tors. theta energy: -2.974
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: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -119.464724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.464724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.464724 (E_RNA)
where:
Base-Base interactions energy: -69.924
where: short stacking energy: -34.381
Base-Backbone interact. energy: -1.091
local terms energy: -48.449376
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -7.255
tors. eta vs tors. theta energy: -6.673
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -217.642536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.642536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.642536 (E_RNA)
where:
Base-Base interactions energy: -136.584
where: short stacking energy: -69.096
Base-Backbone interact. energy: -0.007
local terms energy: -81.051679
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -20.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -208.974287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.974287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.974287 (E_RNA)
where:
Base-Base interactions energy: -128.102
where: short stacking energy: -63.908
Base-Backbone interact. energy: -1.406
local terms energy: -79.466782
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -19.636
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -206.218107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.218107 (E_RNA)
where:
Base-Base interactions energy: -131.074
where: short stacking energy: -65.740
Base-Backbone interact. energy: -1.321
local terms energy: -73.822955
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -18.904
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: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -210.517357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.517357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.517357 (E_RNA)
where:
Base-Base interactions energy: -137.862
where: short stacking energy: -74.792
Base-Backbone interact. energy: -0.027
local terms energy: -72.627892
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -19.989
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: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -194.238767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.238767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.238767 (E_RNA)
where:
Base-Base interactions energy: -123.721
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.001
local terms energy: -70.516669
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -20.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -99.003147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.003147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.003147 (E_RNA)
where:
Base-Base interactions energy: -45.880
where: short stacking energy: -27.332
Base-Backbone interact. energy: -0.706
local terms energy: -52.416553
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -8.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -98.910900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.910900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.910900 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.095
local terms energy: -61.911994
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.150
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -8.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -83.849458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.849458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.849458 (E_RNA)
where:
Base-Base interactions energy: -26.564
where: short stacking energy: -24.743
Base-Backbone interact. energy: -0.168
local terms energy: -57.117019
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -73.340101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.340101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.340101 (E_RNA)
where:
Base-Base interactions energy: -29.576
where: short stacking energy: -29.347
Base-Backbone interact. energy: -0.201
local terms energy: -43.563336
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -79.384909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.384909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.384909 (E_RNA)
where:
Base-Base interactions energy: -27.351
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.143
local terms energy: -51.890417
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -9.545
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -221.629276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.629276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629276 (E_RNA)
where:
Base-Base interactions energy: -144.714
where: short stacking energy: -71.028
Base-Backbone interact. energy: -0.232
local terms energy: -76.683772
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -19.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -218.182521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.182521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.182521 (E_RNA)
where:
Base-Base interactions energy: -143.502
where: short stacking energy: -65.315
Base-Backbone interact. energy: -0.124
local terms energy: -74.556296
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -203.214641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.214641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.214641 (E_RNA)
where:
Base-Base interactions energy: -134.338
where: short stacking energy: -62.787
Base-Backbone interact. energy: -0.142
local terms energy: -68.734535
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -197.642947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.642947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.642947 (E_RNA)
where:
Base-Base interactions energy: -126.963
where: short stacking energy: -67.050
Base-Backbone interact. energy: -0.008
local terms energy: -70.672605
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -180.916576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.916576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.916576 (E_RNA)
where:
Base-Base interactions energy: -116.888
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.018
local terms energy: -64.010395
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -8.065
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: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -92.339353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.339353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.339353 (E_RNA)
where:
Base-Base interactions energy: -43.553
where: short stacking energy: -27.270
Base-Backbone interact. energy: -0.580
local terms energy: -48.206135
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -93.851594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.851594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.851594 (E_RNA)
where:
Base-Base interactions energy: -44.991
where: short stacking energy: -31.384
Base-Backbone interact. energy: -0.122
local terms energy: -48.738278
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -83.216943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.216943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.216943 (E_RNA)
where:
Base-Base interactions energy: -24.167
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.129
local terms energy: -58.921380
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -5.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -83.973482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.973482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.973482 (E_RNA)
where:
Base-Base interactions energy: -31.696
where: short stacking energy: -30.251
Base-Backbone interact. energy: 2.789
local terms energy: -55.066496
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -73.483097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.483097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.483097 (E_RNA)
where:
Base-Base interactions energy: -29.626
where: short stacking energy: -19.502
Base-Backbone interact. energy: -0.143
local terms energy: -43.713965
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: 1.471
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -218.611302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.611302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.611302 (E_RNA)
where:
Base-Base interactions energy: -137.089
where: short stacking energy: -72.281
Base-Backbone interact. energy: 0.050
local terms energy: -81.572338
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -213.751344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.751344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.751344 (E_RNA)
where:
Base-Base interactions energy: -137.373
where: short stacking energy: -73.855
Base-Backbone interact. energy: -0.002
local terms energy: -76.376058
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -20.420
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: 6
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -212.278995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.278995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.278995 (E_RNA)
where:
Base-Base interactions energy: -139.437
where: short stacking energy: -63.848
Base-Backbone interact. energy: -0.078
local terms energy: -72.764272
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -193.706941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.706941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.706941 (E_RNA)
where:
Base-Base interactions energy: -126.404
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.024
local terms energy: -67.279179
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -191.774197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774197 (E_RNA)
where:
Base-Base interactions energy: -119.995
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.015
local terms energy: -71.763705
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -93.455389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.455389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.455389 (E_RNA)
where:
Base-Base interactions energy: -46.306
where: short stacking energy: -32.636
Base-Backbone interact. energy: -0.097
local terms energy: -47.052639
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -1.829
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: 3
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -107.207707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.207707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.207707 (E_RNA)
where:
Base-Base interactions energy: -49.967
where: short stacking energy: -39.460
Base-Backbone interact. energy: -0.254
local terms energy: -56.986590
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -87.492298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492298 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -30.436
Base-Backbone interact. energy: -0.095
local terms energy: -46.926296
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -71.709278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.709278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.709278 (E_RNA)
where:
Base-Base interactions energy: -27.679
where: short stacking energy: -20.726
Base-Backbone interact. energy: -1.032
local terms energy: -42.998240
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -6.365
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: 0.790
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: 7
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -75.415212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.415212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.415212 (E_RNA)
where:
Base-Base interactions energy: -44.095
where: short stacking energy: -21.732
Base-Backbone interact. energy: -0.158
local terms energy: -31.161722
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -4.759
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -229.047360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.047360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.047360 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -75.337
Base-Backbone interact. energy: -0.086
local terms energy: -83.084492
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -10.093
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: 2, replica: 4
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -218.684822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.684822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.684822 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -75.547
Base-Backbone interact. energy: -0.738
local terms energy: -76.341433
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -19.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -209.227128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.227128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.227128 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -68.607
Base-Backbone interact. energy: -0.139
local terms energy: -71.039796
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -200.844792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.844792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.844792 (E_RNA)
where:
Base-Base interactions energy: -129.331
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.073
local terms energy: -71.441205
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -11.532
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: 9
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -189.906254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.906254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.906254 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.072
local terms energy: -62.057686
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -112.676597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.676597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.676597 (E_RNA)
where:
Base-Base interactions energy: -62.712
where: short stacking energy: -32.793
Base-Backbone interact. energy: -0.233
local terms energy: -49.731545
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: 1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -100.259249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259249 (E_RNA)
where:
Base-Base interactions energy: -38.599
where: short stacking energy: -37.326
Base-Backbone interact. energy: -0.118
local terms energy: -61.542427
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -100.536814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.536814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.536814 (E_RNA)
where:
Base-Base interactions energy: -57.486
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.458
local terms energy: -42.592449
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -79.414681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.414681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.414681 (E_RNA)
where:
Base-Base interactions energy: -30.671
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.090
local terms energy: -48.652887
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -7.743
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -1.206
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: 7
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -71.825052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.825052 (E_RNA)
where:
Base-Base interactions energy: -27.758
where: short stacking energy: -13.605
Base-Backbone interact. energy: -0.570
local terms energy: -43.497116
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: 4.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -228.762252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.762252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.762252 (E_RNA)
where:
Base-Base interactions energy: -147.966
where: short stacking energy: -75.111
Base-Backbone interact. energy: -0.029
local terms energy: -80.767413
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -12.955
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: 2, replica: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -218.496089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.496089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.496089 (E_RNA)
where:
Base-Base interactions energy: -136.700
where: short stacking energy: -72.076
Base-Backbone interact. energy: -0.541
local terms energy: -81.254975
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -209.003956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.003956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.003956 (E_RNA)
where:
Base-Base interactions energy: -133.052
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.471
local terms energy: -75.480892
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -209.572448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.572448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.572448 (E_RNA)
where:
Base-Base interactions energy: -133.294
where: short stacking energy: -69.370
Base-Backbone interact. energy: 1.039
local terms energy: -77.318299
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -19.251
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: 5, replica: 9
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -195.800694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.800694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.800694 (E_RNA)
where:
Base-Base interactions energy: -129.283
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.016
local terms energy: -66.501916
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -15.488
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: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -129.407164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.407164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.407164 (E_RNA)
where:
Base-Base interactions energy: -72.833
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.981
local terms energy: -55.593047
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -96.960316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.960316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.960316 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -40.225
Base-Backbone interact. energy: -0.005
local terms energy: -56.730228
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -9.888
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: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -89.948061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.948061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.948061 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -38.964
Base-Backbone interact. energy: 1.924
local terms energy: -51.587654
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -6.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -92.270395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270395 (E_RNA)
where:
Base-Base interactions energy: -43.245
where: short stacking energy: -24.687
Base-Backbone interact. energy: -0.272
local terms energy: -48.753738
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -9.034
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: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -71.432270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.432270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.432270 (E_RNA)
where:
Base-Base interactions energy: -20.513
where: short stacking energy: -13.233
Base-Backbone interact. energy: -0.315
local terms energy: -50.604252
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: 3.750
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)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -219.383637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.383637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.383637 (E_RNA)
where:
Base-Base interactions energy: -142.792
where: short stacking energy: -67.129
Base-Backbone interact. energy: -0.138
local terms energy: -76.453564
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -203.870748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.870748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.870748 (E_RNA)
where:
Base-Base interactions energy: -125.617
where: short stacking energy: -65.440
Base-Backbone interact. energy: -0.000
local terms energy: -78.253845
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -210.182883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.182883 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -66.957
Base-Backbone interact. energy: 1.216
local terms energy: -70.965321
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -20.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -205.189587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189587 (E_RNA)
where:
Base-Base interactions energy: -132.967
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.026
local terms energy: -72.196474
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -10.698
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: 5, replica: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -192.561033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.561033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.561033 (E_RNA)
where:
Base-Base interactions energy: -120.069
where: short stacking energy: -61.452
Base-Backbone interact. energy: -0.509
local terms energy: -71.982999
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -124.014142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.014142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.014142 (E_RNA)
where:
Base-Base interactions energy: -74.289
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.158
local terms energy: -49.567790
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -3.279
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -91.411740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.411740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.411740 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.207
local terms energy: -55.421734
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -85.439360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.439360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.439360 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -27.200
Base-Backbone interact. energy: -0.082
local terms energy: -48.716561
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -2.770
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -95.598037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.598037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.598037 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -32.188
Base-Backbone interact. energy: 0.213
local terms energy: -59.289293
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -77.885285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.885285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.885285 (E_RNA)
where:
Base-Base interactions energy: -26.115
where: short stacking energy: -25.129
Base-Backbone interact. energy: 0.912
local terms energy: -52.682536
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -222.739822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.739822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.739822 (E_RNA)
where:
Base-Base interactions energy: -146.095
where: short stacking energy: -74.695
Base-Backbone interact. energy: -0.141
local terms energy: -76.503804
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -204.044478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.044478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.044478 (E_RNA)
where:
Base-Base interactions energy: -129.351
where: short stacking energy: -64.049
Base-Backbone interact. energy: -0.111
local terms energy: -74.582627
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -206.169614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169614 (E_RNA)
where:
Base-Base interactions energy: -126.853
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.003
local terms energy: -79.313899
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -22.415
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: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -183.048497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.048497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.048497 (E_RNA)
where:
Base-Base interactions energy: -120.509
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.045
local terms energy: -62.494231
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -8.331
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -189.624890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.624890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.624890 (E_RNA)
where:
Base-Base interactions energy: -119.043
where: short stacking energy: -56.310
Base-Backbone interact. energy: -0.011
local terms energy: -70.571122
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -129.488623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.488623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.488623 (E_RNA)
where:
Base-Base interactions energy: -69.328
where: short stacking energy: -34.050
Base-Backbone interact. energy: 1.943
local terms energy: -62.103972
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -90.763326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.763326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.763326 (E_RNA)
where:
Base-Base interactions energy: -41.446
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.104
local terms energy: -49.213568
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -7.170
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: 8, replica: 10
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -84.163465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.163465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.163465 (E_RNA)
where:
Base-Base interactions energy: -32.759
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.148
local terms energy: -51.256622
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -6.340
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: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -84.356127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.356127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.356127 (E_RNA)
where:
Base-Base interactions energy: -30.905
where: short stacking energy: -27.963
Base-Backbone interact. energy: -0.325
local terms energy: -53.126271
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -82.776895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.776895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.776895 (E_RNA)
where:
Base-Base interactions energy: -35.388
where: short stacking energy: -23.917
Base-Backbone interact. energy: -0.184
local terms energy: -47.205030
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -218.300057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.300057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.300057 (E_RNA)
where:
Base-Base interactions energy: -140.570
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.022
local terms energy: -77.708588
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -23.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -207.366014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.366014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.366014 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.156
local terms energy: -74.575155
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -216.613230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613230 (E_RNA)
where:
Base-Base interactions energy: -135.383
where: short stacking energy: -69.188
Base-Backbone interact. energy: 1.292
local terms energy: -82.522490
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -204.405612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.405612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.405612 (E_RNA)
where:
Base-Base interactions energy: -134.545
where: short stacking energy: -55.290
Base-Backbone interact. energy: -0.858
local terms energy: -69.002555
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -198.541430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.541430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541430 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -64.248
Base-Backbone interact. energy: -0.093
local terms energy: -68.144856
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -96.224340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.224340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.224340 (E_RNA)
where:
Base-Base interactions energy: -40.730
where: short stacking energy: -39.091
Base-Backbone interact. energy: 2.061
local terms energy: -57.554620
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -140.553396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.553396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.553396 (E_RNA)
where:
Base-Base interactions energy: -86.715
where: short stacking energy: -43.518
Base-Backbone interact. energy: 0.361
local terms energy: -54.199845
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -9.105
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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -73.392444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.392444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.392444 (E_RNA)
where:
Base-Base interactions energy: -22.248
where: short stacking energy: -22.248
Base-Backbone interact. energy: 0.548
local terms energy: -51.691978
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -85.603607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.603607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.603607 (E_RNA)
where:
Base-Base interactions energy: -33.208
where: short stacking energy: -28.895
Base-Backbone interact. energy: 1.309
local terms energy: -53.704953
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -6.698
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: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -85.306207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.306207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.306207 (E_RNA)
where:
Base-Base interactions energy: -30.814
where: short stacking energy: -28.316
Base-Backbone interact. energy: -0.192
local terms energy: -54.301118
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -6.929
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -202.699655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.699655 (E_RNA)
where:
Base-Base interactions energy: -132.513
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.135
local terms energy: -70.052263
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -214.960154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.960154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.960154 (E_RNA)
where:
Base-Base interactions energy: -136.365
where: short stacking energy: -71.361
Base-Backbone interact. energy: -0.234
local terms energy: -78.360392
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -215.922977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.922977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.922977 (E_RNA)
where:
Base-Base interactions energy: -138.677
where: short stacking energy: -67.386
Base-Backbone interact. energy: -0.088
local terms energy: -77.157977
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -187.374277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.374277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.374277 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.100
local terms energy: -64.798418
where:
bonds (distance) C4'-P energy: -8.498
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -17.810
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -200.416563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.416563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.416563 (E_RNA)
where:
Base-Base interactions energy: -135.828
where: short stacking energy: -69.431
Base-Backbone interact. energy: -0.302
local terms energy: -64.285711
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -17.990
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: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -98.233229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.233229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.233229 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -36.596
Base-Backbone interact. energy: 0.140
local terms energy: -61.089842
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -7.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -88.495122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.495122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.495122 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -35.111
Base-Backbone interact. energy: -0.146
local terms energy: -52.882126
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -115.534485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.534485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.534485 (E_RNA)
where:
Base-Base interactions energy: -59.450
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.170
local terms energy: -55.914127
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -85.682807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.682807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.682807 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -21.428
Base-Backbone interact. energy: -0.039
local terms energy: -53.723832
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -0.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -70.648213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.648213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.648213 (E_RNA)
where:
Base-Base interactions energy: -27.765
where: short stacking energy: -22.429
Base-Backbone interact. energy: -0.256
local terms energy: -42.627366
where:
bonds (distance) C4'-P energy: -7.871
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -5.590
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -222.595667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.595667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.595667 (E_RNA)
where:
Base-Base interactions energy: -142.302
where: short stacking energy: -76.538
Base-Backbone interact. energy: -0.007
local terms energy: -80.287478
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -12.624
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: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -206.321718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.321718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321718 (E_RNA)
where:
Base-Base interactions energy: -129.338
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.003
local terms energy: -76.980790
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -18.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -217.558203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.558203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.558203 (E_RNA)
where:
Base-Base interactions energy: -139.469
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.767
local terms energy: -77.322360
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -210.602745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.602745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.602745 (E_RNA)
where:
Base-Base interactions energy: -133.808
where: short stacking energy: -71.507
Base-Backbone interact. energy: 0.051
local terms energy: -76.845271
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -203.942300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.942300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942300 (E_RNA)
where:
Base-Base interactions energy: -131.368
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.098
local terms energy: -72.476226
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -11.061
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -21.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -90.748543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.748543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.748543 (E_RNA)
where:
Base-Base interactions energy: -39.031
where: short stacking energy: -39.031
Base-Backbone interact. energy: -0.091
local terms energy: -51.626056
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -5.476
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: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -91.676647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.676647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.676647 (E_RNA)
where:
Base-Base interactions energy: -42.871
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.296
local terms energy: -48.509485
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -114.591706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.591706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.591706 (E_RNA)
where:
Base-Base interactions energy: -56.770
where: short stacking energy: -31.403
Base-Backbone interact. energy: -0.279
local terms energy: -57.542455
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -4.174
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: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -82.804234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.804234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.804234 (E_RNA)
where:
Base-Base interactions energy: -32.801
where: short stacking energy: -32.801
Base-Backbone interact. energy: -0.123
local terms energy: -49.879891
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -7.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.668785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.668785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.668785 (E_RNA)
where:
Base-Base interactions energy: -33.708
where: short stacking energy: -32.859
Base-Backbone interact. energy: -0.024
local terms energy: -50.936936
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -10.213
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -4.881
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -216.608661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.608661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.608661 (E_RNA)
where:
Base-Base interactions energy: -140.719
where: short stacking energy: -65.626
Base-Backbone interact. energy: -0.006
local terms energy: -75.884182
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -219.833962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.833962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.833962 (E_RNA)
where:
Base-Base interactions energy: -145.995
where: short stacking energy: -63.173
Base-Backbone interact. energy: -0.046
local terms energy: -73.792382
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -213.464374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.464374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.464374 (E_RNA)
where:
Base-Base interactions energy: -135.621
where: short stacking energy: -69.310
Base-Backbone interact. energy: -1.362
local terms energy: -76.481204
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -198.556258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.556258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.556258 (E_RNA)
where:
Base-Base interactions energy: -136.216
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.052
local terms energy: -62.288223
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -14.233
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: 5, replica: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -183.311293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.311293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.311293 (E_RNA)
where:
Base-Base interactions energy: -120.709
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.130
local terms energy: -62.472688
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -11.395
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: 272
Temperature: 1.150000
Total energy: -98.874670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.874670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.874670 (E_RNA)
where:
Base-Base interactions energy: -39.963
where: short stacking energy: -38.489
Base-Backbone interact. energy: -0.451
local terms energy: -58.460930
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -127.662270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.662270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.662270 (E_RNA)
where:
Base-Base interactions energy: -72.126
where: short stacking energy: -41.070
Base-Backbone interact. energy: 0.860
local terms energy: -56.396361
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -80.406640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.406640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.406640 (E_RNA)
where:
Base-Base interactions energy: -31.413
where: short stacking energy: -22.644
Base-Backbone interact. energy: -0.722
local terms energy: -48.271461
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -84.683092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.683092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.683092 (E_RNA)
where:
Base-Base interactions energy: -33.999
where: short stacking energy: -25.563
Base-Backbone interact. energy: 0.333
local terms energy: -51.017426
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -9.563
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -8.444
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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -76.524553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.524553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.524553 (E_RNA)
where:
Base-Base interactions energy: -26.345
where: short stacking energy: -17.769
Base-Backbone interact. energy: 0.188
local terms energy: -50.367933
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -8.522
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -222.468656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.468656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.468656 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -73.274
Base-Backbone interact. energy: -0.005
local terms energy: -78.872419
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -22.854
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: 273
Temperature: 0.950000
Total energy: -213.240434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.240434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.240434 (E_RNA)
where:
Base-Base interactions energy: -130.929
where: short stacking energy: -63.392
Base-Backbone interact. energy: -1.344
local terms energy: -80.967996
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -206.668405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.668405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.668405 (E_RNA)
where:
Base-Base interactions energy: -135.708
where: short stacking energy: -69.048
Base-Backbone interact. energy: 1.802
local terms energy: -72.762550
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -205.025397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.025397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.025397 (E_RNA)
where:
Base-Base interactions energy: -132.824
where: short stacking energy: -64.544
Base-Backbone interact. energy: -0.003
local terms energy: -72.198479
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -207.752659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.752659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.752659 (E_RNA)
where:
Base-Base interactions energy: -132.703
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.453
local terms energy: -74.597204
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -7.379
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: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -152.476812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.476812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.476812 (E_RNA)
where:
Base-Base interactions energy: -86.238
where: short stacking energy: -47.312
Base-Backbone interact. energy: -0.056
local terms energy: -66.182624
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -10.612
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: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -101.309907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.309907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.309907 (E_RNA)
where:
Base-Base interactions energy: -45.485
where: short stacking energy: -42.532
Base-Backbone interact. energy: 2.990
local terms energy: -58.815056
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -9.487
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -81.075936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.075936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.075936 (E_RNA)
where:
Base-Base interactions energy: -29.126
where: short stacking energy: -16.968
Base-Backbone interact. energy: -0.077
local terms energy: -51.872993
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -0.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -84.610500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.610500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.610500 (E_RNA)
where:
Base-Base interactions energy: -37.804
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.329
local terms energy: -46.477982
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -86.066375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066375 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -27.651
Base-Backbone interact. energy: -0.162
local terms energy: -58.253727
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -7.028
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -222.136245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.136245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.136245 (E_RNA)
where:
Base-Base interactions energy: -148.831
where: short stacking energy: -67.507
Base-Backbone interact. energy: -0.525
local terms energy: -72.780335
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -222.267270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.267270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.267270 (E_RNA)
where:
Base-Base interactions energy: -147.400
where: short stacking energy: -80.382
Base-Backbone interact. energy: 0.853
local terms energy: -75.719746
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -8.187
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: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -215.787503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.787503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.787503 (E_RNA)
where:
Base-Base interactions energy: -138.275
where: short stacking energy: -70.169
Base-Backbone interact. energy: 0.120
local terms energy: -77.632263
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -21.725
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: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -187.542323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.542323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.542323 (E_RNA)
where:
Base-Base interactions energy: -117.799
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.026
local terms energy: -69.717182
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -15.611
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: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -196.988920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.988920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.988920 (E_RNA)
where:
Base-Base interactions energy: -127.663
where: short stacking energy: -64.805
Base-Backbone interact. energy: -0.091
local terms energy: -69.234886
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -166.364897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.364897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.364897 (E_RNA)
where:
Base-Base interactions energy: -111.795
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.029
local terms energy: -54.540253
where:
bonds (distance) C4'-P energy: -5.605
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -7.732
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: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -102.894945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.894945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.894945 (E_RNA)
where:
Base-Base interactions energy: -55.728
where: short stacking energy: -41.384
Base-Backbone interact. energy: -0.180
local terms energy: -46.986874
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -8.790
flat angles P-C4'-P energy: -1.891
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -91.180270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.180270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.180270 (E_RNA)
where:
Base-Base interactions energy: -33.538
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.386
local terms energy: -57.256161
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -83.364775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.364775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.364775 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -22.381
Base-Backbone interact. energy: -0.719
local terms energy: -48.196039
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -2.605
tors. eta vs tors. theta energy: -2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -73.629734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.629734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.629734 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -23.794
Base-Backbone interact. energy: -0.057
local terms energy: -43.986110
where:
bonds (distance) C4'-P energy: -7.098
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -211.242550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.242550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.242550 (E_RNA)
where:
Base-Base interactions energy: -129.773
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.080
local terms energy: -81.389114
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -219.049751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.049751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.049751 (E_RNA)
where:
Base-Base interactions energy: -144.667
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.002
local terms energy: -74.380859
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -215.330372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.330372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.330372 (E_RNA)
where:
Base-Base interactions energy: -136.706
where: short stacking energy: -68.205
Base-Backbone interact. energy: -0.019
local terms energy: -78.605690
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -209.550431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.550431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.550431 (E_RNA)
where:
Base-Base interactions energy: -136.904
where: short stacking energy: -69.995
Base-Backbone interact. energy: -1.192
local terms energy: -71.454192
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -193.877653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.877653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.877653 (E_RNA)
where:
Base-Base interactions energy: -128.412
where: short stacking energy: -61.840
Base-Backbone interact. energy: -0.171
local terms energy: -65.294838
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -200.262973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.262973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.262973 (E_RNA)
where:
Base-Base interactions energy: -125.574
where: short stacking energy: -62.966
Base-Backbone interact. energy: -0.005
local terms energy: -74.683641
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -18.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -93.521170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521170 (E_RNA)
where:
Base-Base interactions energy: -46.025
where: short stacking energy: -46.025
Base-Backbone interact. energy: -0.027
local terms energy: -47.469054
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -3.701
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -10.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -87.221553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221553 (E_RNA)
where:
Base-Base interactions energy: -28.473
where: short stacking energy: -23.600
Base-Backbone interact. energy: 1.089
local terms energy: -59.838348
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -10.586
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: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -89.756713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.756713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.756713 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -36.264
Base-Backbone interact. energy: -0.186
local terms energy: -53.407259
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -72.192035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.192035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.192035 (E_RNA)
where:
Base-Base interactions energy: -30.380
where: short stacking energy: -28.872
Base-Backbone interact. energy: -0.134
local terms energy: -41.677451
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -1.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -223.004267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.004267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.004267 (E_RNA)
where:
Base-Base interactions energy: -137.270
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.371
local terms energy: -85.363452
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -218.119579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.119579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.119579 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -66.504
Base-Backbone interact. energy: 0.134
local terms energy: -77.467627
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -19.863
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -218.289970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.289970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.289970 (E_RNA)
where:
Base-Base interactions energy: -141.399
where: short stacking energy: -76.021
Base-Backbone interact. energy: -0.014
local terms energy: -76.877493
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -9.482
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -193.870593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.870593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.870593 (E_RNA)
where:
Base-Base interactions energy: -118.907
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.054
local terms energy: -74.908817
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -20.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -196.299760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.299760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.299760 (E_RNA)
where:
Base-Base interactions energy: -127.380
where: short stacking energy: -61.808
Base-Backbone interact. energy: -1.583
local terms energy: -67.336724
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -21.102
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: 276
Temperature: 1.150000
Total energy: -198.437751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.437751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.437751 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -58.754
Base-Backbone interact. energy: -0.401
local terms energy: -77.534923
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -92.016647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016647 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -23.699
Base-Backbone interact. energy: -0.081
local terms energy: -61.364943
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.537
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -88.294688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294688 (E_RNA)
where:
Base-Base interactions energy: -34.421
where: short stacking energy: -24.101
Base-Backbone interact. energy: -0.082
local terms energy: -53.792421
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -6.990
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: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -86.421005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421005 (E_RNA)
where:
Base-Base interactions energy: -31.357
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.003
local terms energy: -55.061013
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -72.803739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.803739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.803739 (E_RNA)
where:
Base-Base interactions energy: -28.452
where: short stacking energy: -28.452
Base-Backbone interact. energy: -0.065
local terms energy: -44.287276
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -4.013
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -221.884875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.884875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.884875 (E_RNA)
where:
Base-Base interactions energy: -140.555
where: short stacking energy: -75.165
Base-Backbone interact. energy: -0.024
local terms energy: -81.305465
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -22.501
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: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -223.341786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.341786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.341786 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -67.976
Base-Backbone interact. energy: -0.018
local terms energy: -78.041779
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -201.939605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.939605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.939605 (E_RNA)
where:
Base-Base interactions energy: -126.548
where: short stacking energy: -69.771
Base-Backbone interact. energy: 0.249
local terms energy: -75.640259
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -21.280
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: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -207.442441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.442441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442441 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -65.552
Base-Backbone interact. energy: -0.598
local terms energy: -75.686708
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -7.742
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: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -193.251038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.251038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.251038 (E_RNA)
where:
Base-Base interactions energy: -121.154
where: short stacking energy: -59.089
Base-Backbone interact. energy: -0.664
local terms energy: -71.433065
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -17.313
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: 6, replica: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -197.660113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.660113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.660113 (E_RNA)
where:
Base-Base interactions energy: -129.650
where: short stacking energy: -62.069
Base-Backbone interact. energy: 2.482
local terms energy: -70.492403
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -14.711
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -80.699835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.699835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.699835 (E_RNA)
where:
Base-Base interactions energy: -25.701
where: short stacking energy: -23.348
Base-Backbone interact. energy: -0.357
local terms energy: -54.642416
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -96.280055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.280055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.280055 (E_RNA)
where:
Base-Base interactions energy: -42.669
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.296
local terms energy: -53.314350
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -0.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -87.738571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.738571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.738571 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -39.424
Base-Backbone interact. energy: -0.001
local terms energy: -48.313116
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -6.799
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -11.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -76.395853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.395853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.395853 (E_RNA)
where:
Base-Base interactions energy: -38.630
where: short stacking energy: -13.036
Base-Backbone interact. energy: 1.396
local terms energy: -39.161539
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: 4.002
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -221.082645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.082645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.082645 (E_RNA)
where:
Base-Base interactions energy: -140.797
where: short stacking energy: -67.095
Base-Backbone interact. energy: -0.068
local terms energy: -80.217631
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -215.458571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.458571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.458571 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.014
local terms energy: -77.474084
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -214.683307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.683307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.683307 (E_RNA)
where:
Base-Base interactions energy: -141.052
where: short stacking energy: -74.676
Base-Backbone interact. energy: -0.001
local terms energy: -73.630438
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -190.150787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.150787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.150787 (E_RNA)
where:
Base-Base interactions energy: -128.617
where: short stacking energy: -60.297
Base-Backbone interact. energy: -0.044
local terms energy: -61.489106
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -195.432237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.432237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.432237 (E_RNA)
where:
Base-Base interactions energy: -130.584
where: short stacking energy: -58.877
Base-Backbone interact. energy: 0.335
local terms energy: -65.183517
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -14.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -164.928437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.928437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.928437 (E_RNA)
where:
Base-Base interactions energy: -104.875
where: short stacking energy: -46.077
Base-Backbone interact. energy: 1.131
local terms energy: -61.184246
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -11.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -92.650003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.650003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.650003 (E_RNA)
where:
Base-Base interactions energy: -40.672
where: short stacking energy: -23.511
Base-Backbone interact. energy: -0.591
local terms energy: -51.386957
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -1.964
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -105.544066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.544066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.544066 (E_RNA)
where:
Base-Base interactions energy: -44.329
where: short stacking energy: -33.761
Base-Backbone interact. energy: -0.018
local terms energy: -61.196962
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -87.245595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.245595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.245595 (E_RNA)
where:
Base-Base interactions energy: -37.646
where: short stacking energy: -31.469
Base-Backbone interact. energy: -0.226
local terms energy: -49.373609
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -9.515
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.765891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.765891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.765891 (E_RNA)
where:
Base-Base interactions energy: -32.462
where: short stacking energy: -29.565
Base-Backbone interact. energy: -0.420
local terms energy: -47.884180
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -221.636176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.636176 (E_RNA)
where:
Base-Base interactions energy: -140.807
where: short stacking energy: -72.873
Base-Backbone interact. energy: -0.102
local terms energy: -80.726912
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -23.800
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -221.272721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.272721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.272721 (E_RNA)
where:
Base-Base interactions energy: -136.215
where: short stacking energy: -71.700
Base-Backbone interact. energy: -0.015
local terms energy: -85.043025
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -227.139197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.139197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.139197 (E_RNA)
where:
Base-Base interactions energy: -140.540
where: short stacking energy: -74.946
Base-Backbone interact. energy: -0.150
local terms energy: -86.448863
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -24.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -209.601810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.601810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.601810 (E_RNA)
where:
Base-Base interactions energy: -140.644
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.059
local terms energy: -68.899180
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -8.283
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: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -188.775539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.775539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.775539 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.004
local terms energy: -63.234496
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -147.274394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.274394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.274394 (E_RNA)
where:
Base-Base interactions energy: -87.145
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.036
local terms energy: -60.093078
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -90.976210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.976210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.976210 (E_RNA)
where:
Base-Base interactions energy: -35.316
where: short stacking energy: -35.316
Base-Backbone interact. energy: 0.379
local terms energy: -56.039380
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -90.480502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.480502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.480502 (E_RNA)
where:
Base-Base interactions energy: -25.546
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.132
local terms energy: -64.802702
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -8.448
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -82.358333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.358333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.358333 (E_RNA)
where:
Base-Base interactions energy: -29.111
where: short stacking energy: -28.798
Base-Backbone interact. energy: -0.035
local terms energy: -53.211748
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.751
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: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -77.226554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.226554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.226554 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.372
Base-Backbone interact. energy: 1.325
local terms energy: -48.179209
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -4.122
tors. eta vs tors. theta energy: -2.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -224.075260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.075260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.075260 (E_RNA)
where:
Base-Base interactions energy: -142.969
where: short stacking energy: -74.237
Base-Backbone interact. energy: -0.460
local terms energy: -80.646733
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -226.264763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.264763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.264763 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.018
local terms energy: -76.179166
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -205.662049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.662049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.662049 (E_RNA)
where:
Base-Base interactions energy: -131.789
where: short stacking energy: -70.507
Base-Backbone interact. energy: -0.060
local terms energy: -73.813400
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -206.561157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.561157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.561157 (E_RNA)
where:
Base-Base interactions energy: -132.197
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.294
local terms energy: -74.070092
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -134.258911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.258911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.258911 (E_RNA)
where:
Base-Base interactions energy: -73.382
where: short stacking energy: -41.419
Base-Backbone interact. energy: -0.081
local terms energy: -60.795246
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -11.538
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: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -197.815978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.815978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.815978 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -64.793
Base-Backbone interact. energy: -0.017
local terms energy: -68.735088
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -86.171704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.171704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.171704 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -27.299
Base-Backbone interact. energy: 2.404
local terms energy: -53.639398
where:
bonds (distance) C4'-P energy: -16.860
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -5.329
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -7.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -78.662419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.662419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.662419 (E_RNA)
where:
Base-Base interactions energy: -32.170
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.975
local terms energy: -45.518158
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: 1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -87.240446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.240446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.240446 (E_RNA)
where:
Base-Base interactions energy: -39.642
where: short stacking energy: -25.264
Base-Backbone interact. energy: -0.841
local terms energy: -46.757663
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -9.102
flat angles P-C4'-P energy: -3.928
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: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -91.882506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.882506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.882506 (E_RNA)
where:
Base-Base interactions energy: -43.186
where: short stacking energy: -18.030
Base-Backbone interact. energy: -0.020
local terms energy: -48.675932
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -219.887683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.887683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.887683 (E_RNA)
where:
Base-Base interactions energy: -140.319
where: short stacking energy: -66.278
Base-Backbone interact. energy: 0.426
local terms energy: -79.994232
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -208.848947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.848947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.848947 (E_RNA)
where:
Base-Base interactions energy: -133.336
where: short stacking energy: -60.846
Base-Backbone interact. energy: 0.808
local terms energy: -76.320961
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -18.655
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -212.893210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.893210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.893210 (E_RNA)
where:
Base-Base interactions energy: -131.799
where: short stacking energy: -66.209
Base-Backbone interact. energy: 0.059
local terms energy: -81.153018
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -154.991250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.991250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.991250 (E_RNA)
where:
Base-Base interactions energy: -93.707
where: short stacking energy: -52.403
Base-Backbone interact. energy: -0.057
local terms energy: -61.227933
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -10.055
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -14.054
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: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -201.473857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.473857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.473857 (E_RNA)
where:
Base-Base interactions energy: -132.769
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.029
local terms energy: -68.676370
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -17.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -166.186563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.186563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.186563 (E_RNA)
where:
Base-Base interactions energy: -105.188
where: short stacking energy: -42.037
Base-Backbone interact. energy: -0.071
local terms energy: -60.927454
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -122.772933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.772933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.772933 (E_RNA)
where:
Base-Base interactions energy: -57.596
where: short stacking energy: -42.455
Base-Backbone interact. energy: 0.814
local terms energy: -65.991232
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -10.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -85.381748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.381748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.381748 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -33.895
Base-Backbone interact. energy: -0.431
local terms energy: -43.428213
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -83.568822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.568822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.568822 (E_RNA)
where:
Base-Base interactions energy: -37.670
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.018
local terms energy: -45.880909
where:
bonds (distance) C4'-P energy: -1.542
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -7.403
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: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -78.111446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.111446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.111446 (E_RNA)
where:
Base-Base interactions energy: -36.633
where: short stacking energy: -16.540
Base-Backbone interact. energy: -0.253
local terms energy: -41.225287
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -1.129
tors. eta vs tors. theta energy: -0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -219.966572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.966572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.966572 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -70.428
Base-Backbone interact. energy: 1.597
local terms energy: -82.422711
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -215.799173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.799173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.799173 (E_RNA)
where:
Base-Base interactions energy: -141.328
where: short stacking energy: -71.515
Base-Backbone interact. energy: 0.059
local terms energy: -74.529395
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -206.618826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.618826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.618826 (E_RNA)
where:
Base-Base interactions energy: -126.612
where: short stacking energy: -67.077
Base-Backbone interact. energy: -0.161
local terms energy: -79.846269
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -10.139
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: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -150.035893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.035893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.035893 (E_RNA)
where:
Base-Base interactions energy: -81.225
where: short stacking energy: -52.770
Base-Backbone interact. energy: -0.168
local terms energy: -68.642855
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.570
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: 5, replica: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -196.092380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.092380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.092380 (E_RNA)
where:
Base-Base interactions energy: -120.369
where: short stacking energy: -57.515
Base-Backbone interact. energy: 0.035
local terms energy: -75.758705
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -11.480
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -164.384713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.384713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.384713 (E_RNA)
where:
Base-Base interactions energy: -97.573
where: short stacking energy: -46.416
Base-Backbone interact. energy: -0.031
local terms energy: -66.780748
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -93.330593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.330593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.330593 (E_RNA)
where:
Base-Base interactions energy: -45.060
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.245
local terms energy: -48.026505
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -89.585904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.585904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.585904 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -25.357
Base-Backbone interact. energy: -0.007
local terms energy: -50.604765
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -7.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -85.924539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.924539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.924539 (E_RNA)
where:
Base-Base interactions energy: -31.455
where: short stacking energy: -23.537
Base-Backbone interact. energy: 0.243
local terms energy: -54.712303
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -90.365687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.365687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.365687 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -32.343
Base-Backbone interact. energy: -0.165
local terms energy: -56.394527
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -8.582
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -219.143499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.143499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.143499 (E_RNA)
where:
Base-Base interactions energy: -137.095
where: short stacking energy: -69.955
Base-Backbone interact. energy: -0.038
local terms energy: -82.011102
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -19.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -203.682961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.682961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682961 (E_RNA)
where:
Base-Base interactions energy: -137.983
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.139
local terms energy: -65.560505
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -13.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -212.752887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.752887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.752887 (E_RNA)
where:
Base-Base interactions energy: -138.737
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.532
local terms energy: -73.483675
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -9.676
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: 283
Temperature: 1.050000
Total energy: -207.141087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.141087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.141087 (E_RNA)
where:
Base-Base interactions energy: -137.396
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.070
local terms energy: -69.675427
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.517
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -15.324
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: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -155.582700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.582700 (E_RNA)
where:
Base-Base interactions energy: -108.893
where: short stacking energy: -36.595
Base-Backbone interact. energy: -0.180
local terms energy: -46.509839
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -184.870416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.870416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.870416 (E_RNA)
where:
Base-Base interactions energy: -121.152
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.112
local terms energy: -63.606004
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -8.544
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -96.382475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.382475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.382475 (E_RNA)
where:
Base-Base interactions energy: -39.838
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.160
local terms energy: -56.384630
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -78.902212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.902212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.902212 (E_RNA)
where:
Base-Base interactions energy: -30.772
where: short stacking energy: -27.438
Base-Backbone interact. energy: -0.023
local terms energy: -48.107099
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -5.439
flat angles P-C4'-P energy: -8.081
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: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -79.160064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.160064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.160064 (E_RNA)
where:
Base-Base interactions energy: -23.171
where: short stacking energy: -23.171
Base-Backbone interact. energy: -0.451
local terms energy: -55.538565
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -79.963625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.963625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.963625 (E_RNA)
where:
Base-Base interactions energy: -41.655
where: short stacking energy: -27.781
Base-Backbone interact. energy: -0.410
local terms energy: -37.897857
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: 4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -205.261549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261549 (E_RNA)
where:
Base-Base interactions energy: -132.933
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.006
local terms energy: -72.321681
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -222.782597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.782597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.782597 (E_RNA)
where:
Base-Base interactions energy: -141.976
where: short stacking energy: -75.299
Base-Backbone interact. energy: -0.009
local terms energy: -80.798013
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -210.791015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.791015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.791015 (E_RNA)
where:
Base-Base interactions energy: -136.461
where: short stacking energy: -65.522
Base-Backbone interact. energy: -0.058
local terms energy: -74.271960
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -12.356
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -213.338502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338502 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -65.536
Base-Backbone interact. energy: -0.020
local terms energy: -79.573609
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -22.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -189.696720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.696720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.696720 (E_RNA)
where:
Base-Base interactions energy: -131.172
where: short stacking energy: -55.356
Base-Backbone interact. energy: 0.109
local terms energy: -58.634241
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -150.356808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.356808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.356808 (E_RNA)
where:
Base-Base interactions energy: -92.521
where: short stacking energy: -37.071
Base-Backbone interact. energy: -0.311
local terms energy: -57.523981
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -7.668
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: 284
Temperature: 1.200000
Total energy: -92.577578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.577578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.577578 (E_RNA)
where:
Base-Base interactions energy: -39.589
where: short stacking energy: -39.589
Base-Backbone interact. energy: -0.001
local terms energy: -52.988039
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -7.495
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: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -80.580870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.580870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.580870 (E_RNA)
where:
Base-Base interactions energy: -25.378
where: short stacking energy: -24.365
Base-Backbone interact. energy: -0.038
local terms energy: -55.164368
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -4.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -88.815885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.815885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.815885 (E_RNA)
where:
Base-Base interactions energy: -35.755
where: short stacking energy: -24.034
Base-Backbone interact. energy: -0.083
local terms energy: -52.977921
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -4.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -82.157641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.157641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.157641 (E_RNA)
where:
Base-Base interactions energy: -36.533
where: short stacking energy: -22.144
Base-Backbone interact. energy: -0.257
local terms energy: -45.367718
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -208.808510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.808510 (E_RNA)
where:
Base-Base interactions energy: -132.911
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.001
local terms energy: -75.896623
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -19.604
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: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -217.840550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.840550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.840550 (E_RNA)
where:
Base-Base interactions energy: -140.136
where: short stacking energy: -70.768
Base-Backbone interact. energy: -0.072
local terms energy: -77.632294
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -16.784
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -21.371
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: 285
Temperature: 1.000000
Total energy: -214.760680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.760680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.760680 (E_RNA)
where:
Base-Base interactions energy: -138.459
where: short stacking energy: -66.921
Base-Backbone interact. energy: 2.728
local terms energy: -79.029708
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -207.792300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.792300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.792300 (E_RNA)
where:
Base-Base interactions energy: -130.264
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.047
local terms energy: -77.480953
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -197.686921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.686921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.686921 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -61.201
Base-Backbone interact. energy: 0.256
local terms energy: -66.911950
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -96.532298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.532298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.532298 (E_RNA)
where:
Base-Base interactions energy: -38.912
where: short stacking energy: -33.613
Base-Backbone interact. energy: -0.004
local terms energy: -57.617215
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -130.773542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.773542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.773542 (E_RNA)
where:
Base-Base interactions energy: -66.211
where: short stacking energy: -34.740
Base-Backbone interact. energy: -0.001
local terms energy: -64.560876
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -97.157961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.157961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.157961 (E_RNA)
where:
Base-Base interactions energy: -50.020
where: short stacking energy: -50.020
Base-Backbone interact. energy: -0.019
local terms energy: -47.118659
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -7.310
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: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -80.191366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.191366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.191366 (E_RNA)
where:
Base-Base interactions energy: -26.787
where: short stacking energy: -24.115
Base-Backbone interact. energy: -0.149
local terms energy: -53.255345
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -5.210
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: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -75.354708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.354708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.354708 (E_RNA)
where:
Base-Base interactions energy: -23.929
where: short stacking energy: -23.929
Base-Backbone interact. energy: -0.121
local terms energy: -51.304581
where:
bonds (distance) C4'-P energy: -8.116
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -5.082
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -217.965988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.965988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.965988 (E_RNA)
where:
Base-Base interactions energy: -135.463
where: short stacking energy: -66.885
Base-Backbone interact. energy: -0.543
local terms energy: -81.960655
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -18.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -225.091026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.091026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.091026 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -68.032
Base-Backbone interact. energy: -0.297
local terms energy: -82.807849
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -23.341
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: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -212.028625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.028625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.028625 (E_RNA)
where:
Base-Base interactions energy: -137.316
where: short stacking energy: -67.820
Base-Backbone interact. energy: -0.051
local terms energy: -74.661002
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -209.189950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.189950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.189950 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -70.772
Base-Backbone interact. energy: -0.080
local terms energy: -75.719985
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -191.663711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.663711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.663711 (E_RNA)
where:
Base-Base interactions energy: -128.595
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.099
local terms energy: -62.969671
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -17.504
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: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -92.657990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.657990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.657990 (E_RNA)
where:
Base-Base interactions energy: -30.931
where: short stacking energy: -28.237
Base-Backbone interact. energy: -0.188
local terms energy: -61.539623
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -5.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -101.940385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.940385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.940385 (E_RNA)
where:
Base-Base interactions energy: -53.770
where: short stacking energy: -36.560
Base-Backbone interact. energy: -0.055
local terms energy: -48.115813
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -133.440581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.440581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.440581 (E_RNA)
where:
Base-Base interactions energy: -73.467
where: short stacking energy: -35.180
Base-Backbone interact. energy: -1.150
local terms energy: -58.823451
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -68.483805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.483805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.483805 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -20.583
Base-Backbone interact. energy: -0.106
local terms energy: -44.717140
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -6.631
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: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.528055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.528055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.528055 (E_RNA)
where:
Base-Base interactions energy: -31.745
where: short stacking energy: -32.045
Base-Backbone interact. energy: -0.392
local terms energy: -45.391280
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -9.569
flat angles C4'-P-C4' energy: -9.128
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -7.389
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -214.424688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.424688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.424688 (E_RNA)
where:
Base-Base interactions energy: -135.717
where: short stacking energy: -74.740
Base-Backbone interact. energy: -0.001
local terms energy: -78.705963
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -16.334
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -218.146090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.146090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146090 (E_RNA)
where:
Base-Base interactions energy: -136.080
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.626
local terms energy: -81.440794
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -21.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -214.223237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.223237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.223237 (E_RNA)
where:
Base-Base interactions energy: -143.002
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.761
local terms energy: -70.459894
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -194.266005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.266005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.266005 (E_RNA)
where:
Base-Base interactions energy: -124.126
where: short stacking energy: -54.443
Base-Backbone interact. energy: -0.022
local terms energy: -70.118684
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -202.121256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.121256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.121256 (E_RNA)
where:
Base-Base interactions energy: -131.788
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.004
local terms energy: -70.329018
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -9.392
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -108.350877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.350877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.350877 (E_RNA)
where:
Base-Base interactions energy: -57.097
where: short stacking energy: -32.062
Base-Backbone interact. energy: -1.564
local terms energy: -49.690451
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -6.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -100.152058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.152058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.152058 (E_RNA)
where:
Base-Base interactions energy: -46.392
where: short stacking energy: -32.592
Base-Backbone interact. energy: -0.006
local terms energy: -53.753293
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -140.691285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.691285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.691285 (E_RNA)
where:
Base-Base interactions energy: -81.054
where: short stacking energy: -45.544
Base-Backbone interact. energy: -0.017
local terms energy: -59.620998
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -81.194870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.194870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.194870 (E_RNA)
where:
Base-Base interactions energy: -34.273
where: short stacking energy: -27.702
Base-Backbone interact. energy: -0.157
local terms energy: -46.765234
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -9.833
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -1.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -73.990878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.990878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.990878 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.101
local terms energy: -45.129742
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -6.045
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -222.916245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916245 (E_RNA)
where:
Base-Base interactions energy: -149.004
where: short stacking energy: -74.904
Base-Backbone interact. energy: -0.140
local terms energy: -73.772636
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -18.984
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: 288
Temperature: 0.950000
Total energy: -222.569164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.569164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.569164 (E_RNA)
where:
Base-Base interactions energy: -142.914
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.013
local terms energy: -79.642755
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -186.423145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.423145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.423145 (E_RNA)
where:
Base-Base interactions energy: -118.353
where: short stacking energy: -60.090
Base-Backbone interact. energy: -0.013
local terms energy: -68.057541
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -13.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -200.714571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.714571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.714571 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -65.380
Base-Backbone interact. energy: 1.385
local terms energy: -74.829415
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -205.934112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.934112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.934112 (E_RNA)
where:
Base-Base interactions energy: -136.997
where: short stacking energy: -66.679
Base-Backbone interact. energy: 0.600
local terms energy: -69.536543
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -106.179290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.179290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.179290 (E_RNA)
where:
Base-Base interactions energy: -48.789
where: short stacking energy: -36.182
Base-Backbone interact. energy: -0.068
local terms energy: -57.322183
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -5.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -151.832792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.832792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.832792 (E_RNA)
where:
Base-Base interactions energy: -79.238
where: short stacking energy: -51.334
Base-Backbone interact. energy: 1.040
local terms energy: -73.634875
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -78.461605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.461605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.461605 (E_RNA)
where:
Base-Base interactions energy: -30.408
where: short stacking energy: -25.859
Base-Backbone interact. energy: -0.610
local terms energy: -47.443902
where:
bonds (distance) C4'-P energy: -8.014
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -1.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -75.628358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.628358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.628358 (E_RNA)
where:
Base-Base interactions energy: -32.693
where: short stacking energy: -21.067
Base-Backbone interact. energy: -0.358
local terms energy: -42.577302
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: 1.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -80.695807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695807 (E_RNA)
where:
Base-Base interactions energy: -27.677
where: short stacking energy: -27.677
Base-Backbone interact. energy: 0.469
local terms energy: -53.487289
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -8.232
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -222.427356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.427356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.427356 (E_RNA)
where:
Base-Base interactions energy: -141.158
where: short stacking energy: -70.840
Base-Backbone interact. energy: -0.009
local terms energy: -81.260465
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -19.397
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: 9
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -216.041047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.041047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041047 (E_RNA)
where:
Base-Base interactions energy: -142.552
where: short stacking energy: -64.670
Base-Backbone interact. energy: -0.116
local terms energy: -73.373863
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -204.452765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452765 (E_RNA)
where:
Base-Base interactions energy: -131.235
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.963
local terms energy: -72.255090
where:
bonds (distance) C4'-P energy: -15.911
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -196.523340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.523340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.523340 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.226
local terms energy: -57.411375
where:
bonds (distance) C4'-P energy: -6.249
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -15.105
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: 4
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -185.517677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517677 (E_RNA)
where:
Base-Base interactions energy: -119.982
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.136
local terms energy: -65.399598
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -145.918103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.918103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.918103 (E_RNA)
where:
Base-Base interactions energy: -79.915
where: short stacking energy: -42.687
Base-Backbone interact. energy: -0.410
local terms energy: -65.593307
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -8.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -99.765805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.765805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.765805 (E_RNA)
where:
Base-Base interactions energy: -42.204
where: short stacking energy: -26.779
Base-Backbone interact. energy: -0.185
local terms energy: -57.376268
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -83.847579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.847579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.847579 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -19.054
Base-Backbone interact. energy: -0.485
local terms energy: -45.255925
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -9.910
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: 1
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -75.487704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.487704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.487704 (E_RNA)
where:
Base-Base interactions energy: -29.792
where: short stacking energy: -29.792
Base-Backbone interact. energy: -0.392
local terms energy: -45.303631
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.493
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -83.831716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.831716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.831716 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -27.244
Base-Backbone interact. energy: -0.473
local terms energy: -50.116671
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -2.537
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -221.261251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.261251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.261251 (E_RNA)
where:
Base-Base interactions energy: -146.357
where: short stacking energy: -66.901
Base-Backbone interact. energy: -0.191
local terms energy: -74.712941
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -219.202217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.202217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.202217 (E_RNA)
where:
Base-Base interactions energy: -138.211
where: short stacking energy: -79.488
Base-Backbone interact. energy: -0.307
local terms energy: -80.684207
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -24.004
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: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -197.795700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.795700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.795700 (E_RNA)
where:
Base-Base interactions energy: -123.166
where: short stacking energy: -63.750
Base-Backbone interact. energy: -0.475
local terms energy: -74.155113
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -221.229052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.229052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.229052 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.477
local terms energy: -79.561688
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -181.680011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.680011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.680011 (E_RNA)
where:
Base-Base interactions energy: -122.747
where: short stacking energy: -47.799
Base-Backbone interact. energy: -0.067
local terms energy: -58.865592
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -12.045
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: 8
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -160.657491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.657491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.657491 (E_RNA)
where:
Base-Base interactions energy: -96.974
where: short stacking energy: -59.022
Base-Backbone interact. energy: -0.022
local terms energy: -63.661319
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -13.672
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -92.257758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.257758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.257758 (E_RNA)
where:
Base-Base interactions energy: -36.756
where: short stacking energy: -36.756
Base-Backbone interact. energy: 0.573
local terms energy: -56.074947
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -4.134
tors. eta vs tors. theta energy: -8.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -80.663047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.663047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.663047 (E_RNA)
where:
Base-Base interactions energy: -29.954
where: short stacking energy: -29.954
Base-Backbone interact. energy: -0.305
local terms energy: -50.403816
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -3.616
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -77.229127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.229127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.229127 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.088
local terms energy: -52.290782
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -73.139050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.139050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.139050 (E_RNA)
where:
Base-Base interactions energy: -39.023
where: short stacking energy: -18.536
Base-Backbone interact. energy: -0.507
local terms energy: -33.609393
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -3.368
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -225.860851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.860851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.860851 (E_RNA)
where:
Base-Base interactions energy: -144.017
where: short stacking energy: -63.611
Base-Backbone interact. energy: -0.654
local terms energy: -81.189809
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -208.847039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.847039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.847039 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.007
local terms energy: -70.150202
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -212.177670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.177670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.177670 (E_RNA)
where:
Base-Base interactions energy: -132.940
where: short stacking energy: -69.744
Base-Backbone interact. energy: 0.402
local terms energy: -79.639622
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -194.737502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.737502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.737502 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.124
local terms energy: -69.995932
where:
bonds (distance) C4'-P energy: -11.408
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -207.654284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.654284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.654284 (E_RNA)
where:
Base-Base interactions energy: -130.978
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.003
local terms energy: -76.672796
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -134.286567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.286567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.286567 (E_RNA)
where:
Base-Base interactions energy: -80.329
where: short stacking energy: -38.804
Base-Backbone interact. energy: -0.106
local terms energy: -53.851061
where:
bonds (distance) C4'-P energy: -13.749
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -84.735412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.735412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.735412 (E_RNA)
where:
Base-Base interactions energy: -30.674
where: short stacking energy: -30.674
Base-Backbone interact. energy: -0.442
local terms energy: -53.619726
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -4.192
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -82.035597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035597 (E_RNA)
where:
Base-Base interactions energy: -26.730
where: short stacking energy: -26.730
Base-Backbone interact. energy: -0.056
local terms energy: -55.249934
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -4.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -80.081575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081575 (E_RNA)
where:
Base-Base interactions energy: -27.782
where: short stacking energy: -27.782
Base-Backbone interact. energy: -0.231
local terms energy: -52.068972
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -10.565
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -73.375861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.375861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.375861 (E_RNA)
where:
Base-Base interactions energy: -25.982
where: short stacking energy: -20.454
Base-Backbone interact. energy: -0.134
local terms energy: -47.259660
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -2.407
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -221.309770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309770 (E_RNA)
where:
Base-Base interactions energy: -153.735
where: short stacking energy: -68.468
Base-Backbone interact. energy: -0.522
local terms energy: -67.052090
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -220.551287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.551287 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -73.466
Base-Backbone interact. energy: -0.333
local terms energy: -76.327838
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -21.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -200.044505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.044505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.044505 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.021
local terms energy: -73.673308
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -16.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -186.169757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.169757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.169757 (E_RNA)
where:
Base-Base interactions energy: -112.079
where: short stacking energy: -58.096
Base-Backbone interact. energy: -0.009
local terms energy: -74.081574
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -201.097836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.097836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.097836 (E_RNA)
where:
Base-Base interactions energy: -124.925
where: short stacking energy: -70.122
Base-Backbone interact. energy: -0.639
local terms energy: -75.534056
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -21.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -130.444117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.444117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.444117 (E_RNA)
where:
Base-Base interactions energy: -67.865
where: short stacking energy: -39.976
Base-Backbone interact. energy: 0.275
local terms energy: -62.853582
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -6.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -83.438072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.438072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.438072 (E_RNA)
where:
Base-Base interactions energy: -30.138
where: short stacking energy: -20.878
Base-Backbone interact. energy: 1.781
local terms energy: -55.081407
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -7.758
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: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -90.332700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.332700 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.214
local terms energy: -59.429559
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -11.295
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: 292
Temperature: 1.300000
Total energy: -90.409903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409903 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -35.126
Base-Backbone interact. energy: -0.040
local terms energy: -55.243240
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.747
tors. eta vs tors. theta energy: -8.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -78.686315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.686315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.686315 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.103
local terms energy: -50.464146
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -228.607814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.607814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.607814 (E_RNA)
where:
Base-Base interactions energy: -153.271
where: short stacking energy: -64.492
Base-Backbone interact. energy: 0.320
local terms energy: -75.656598
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -17.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -207.934800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.934800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.934800 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -63.560
Base-Backbone interact. energy: -0.074
local terms energy: -73.277735
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -17.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -213.347420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.347420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.347420 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.022
local terms energy: -78.460130
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -215.912601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.912601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.912601 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -65.276
Base-Backbone interact. energy: 0.706
local terms energy: -81.556030
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -193.613153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.613153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.613153 (E_RNA)
where:
Base-Base interactions energy: -126.768
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.001
local terms energy: -66.844896
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -125.909517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.909517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.909517 (E_RNA)
where:
Base-Base interactions energy: -65.952
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.006
local terms energy: -59.951385
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -95.098418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.098418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.098418 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -39.417
Base-Backbone interact. energy: -0.134
local terms energy: -55.547190
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -91.224433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.224433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.224433 (E_RNA)
where:
Base-Base interactions energy: -34.291
where: short stacking energy: -34.291
Base-Backbone interact. energy: -0.257
local terms energy: -56.675977
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -98.442489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.442489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.442489 (E_RNA)
where:
Base-Base interactions energy: -36.197
where: short stacking energy: -36.197
Base-Backbone interact. energy: -0.096
local terms energy: -62.149179
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -11.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -74.665367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.665367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.665367 (E_RNA)
where:
Base-Base interactions energy: -23.318
where: short stacking energy: -19.292
Base-Backbone interact. energy: -0.129
local terms energy: -51.218923
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -2.240
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -222.454991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454991 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -70.513
Base-Backbone interact. energy: -0.049
local terms energy: -76.229812
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -215.948127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.948127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.948127 (E_RNA)
where:
Base-Base interactions energy: -133.566
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.035
local terms energy: -82.347745
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -16.937
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -22.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -210.565309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.565309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.565309 (E_RNA)
where:
Base-Base interactions energy: -132.814
where: short stacking energy: -72.749
Base-Backbone interact. energy: -0.052
local terms energy: -77.699682
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -206.435655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.435655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.435655 (E_RNA)
where:
Base-Base interactions energy: -134.300
where: short stacking energy: -62.745
Base-Backbone interact. energy: -1.187
local terms energy: -70.948514
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -13.835
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -17.417
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: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -202.923464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.923464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.923464 (E_RNA)
where:
Base-Base interactions energy: -130.061
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.087
local terms energy: -72.774746
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -20.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -99.859518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.859518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.859518 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -28.215
Base-Backbone interact. energy: -0.329
local terms energy: -47.888765
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -8.600
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -3.602
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: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -85.464673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.464673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.464673 (E_RNA)
where:
Base-Base interactions energy: -31.266
where: short stacking energy: -22.781
Base-Backbone interact. energy: -0.581
local terms energy: -53.618451
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -11.173
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: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -97.213365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.213365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.213365 (E_RNA)
where:
Base-Base interactions energy: -37.722
where: short stacking energy: -25.071
Base-Backbone interact. energy: -0.053
local terms energy: -59.439224
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -81.544953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.544953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.544953 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.115
local terms energy: -50.745071
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -8.354
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: 10, replica: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -81.094930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.094930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.094930 (E_RNA)
where:
Base-Base interactions energy: -44.265
where: short stacking energy: -34.959
Base-Backbone interact. energy: -0.488
local terms energy: -36.342248
where:
bonds (distance) C4'-P energy: -5.114
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -6.751
tors. eta vs tors. theta energy: -2.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -212.624795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.624795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.624795 (E_RNA)
where:
Base-Base interactions energy: -133.519
where: short stacking energy: -72.611
Base-Backbone interact. energy: -0.013
local terms energy: -79.092875
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -227.816687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.816687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.816687 (E_RNA)
where:
Base-Base interactions energy: -149.965
where: short stacking energy: -70.863
Base-Backbone interact. energy: -1.015
local terms energy: -76.836794
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -212.148595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.148595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.148595 (E_RNA)
where:
Base-Base interactions energy: -134.948
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.002
local terms energy: -77.198195
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -184.285740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.285740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.285740 (E_RNA)
where:
Base-Base interactions energy: -125.286
where: short stacking energy: -61.264
Base-Backbone interact. energy: -0.110
local terms energy: -58.889671
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.633
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -13.417
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: 295
Temperature: 1.100000
Total energy: -202.793488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.793488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793488 (E_RNA)
where:
Base-Base interactions energy: -136.944
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.016
local terms energy: -65.833817
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -10.012
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -1.207
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -122.026291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.026291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.026291 (E_RNA)
where:
Base-Base interactions energy: -62.771
where: short stacking energy: -43.310
Base-Backbone interact. energy: -0.119
local terms energy: -59.136442
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.112
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -91.723336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.723336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.723336 (E_RNA)
where:
Base-Base interactions energy: -39.774
where: short stacking energy: -36.058
Base-Backbone interact. energy: -0.109
local terms energy: -51.840134
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -4.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -80.996788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996788 (E_RNA)
where:
Base-Base interactions energy: -24.178
where: short stacking energy: -18.806
Base-Backbone interact. energy: -0.185
local terms energy: -56.633170
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -89.583950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.583950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.583950 (E_RNA)
where:
Base-Base interactions energy: -35.375
where: short stacking energy: -35.375
Base-Backbone interact. energy: -0.090
local terms energy: -54.118229
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -5.798
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: 295
Temperature: 1.350000
Total energy: -72.371521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.371521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.371521 (E_RNA)
where:
Base-Base interactions energy: -22.627
where: short stacking energy: -17.504
Base-Backbone interact. energy: -0.324
local terms energy: -49.421023
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: 2.894
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -223.106429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.106429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.106429 (E_RNA)
where:
Base-Base interactions energy: -138.467
where: short stacking energy: -71.519
Base-Backbone interact. energy: -0.370
local terms energy: -84.269439
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -215.169336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.169336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169336 (E_RNA)
where:
Base-Base interactions energy: -142.057
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.550
local terms energy: -72.562370
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -20.583
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: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -216.257255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.257255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.257255 (E_RNA)
where:
Base-Base interactions energy: -142.531
where: short stacking energy: -69.904
Base-Backbone interact. energy: 0.209
local terms energy: -73.934979
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -19.142
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -201.321902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.321902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.321902 (E_RNA)
where:
Base-Base interactions energy: -126.603
where: short stacking energy: -64.448
Base-Backbone interact. energy: -0.442
local terms energy: -74.277047
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -195.152216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.152216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.152216 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -57.921
Base-Backbone interact. energy: -0.387
local terms energy: -65.647949
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -119.148120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.148120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.148120 (E_RNA)
where:
Base-Base interactions energy: -59.300
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.204
local terms energy: -59.643710
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -80.637903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637903 (E_RNA)
where:
Base-Base interactions energy: -35.644
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.335
local terms energy: -44.659475
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -0.497
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: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -100.602372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.602372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.602372 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -38.027
Base-Backbone interact. energy: -0.223
local terms energy: -58.257519
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -79.709315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.709315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.709315 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -29.215
Base-Backbone interact. energy: 0.722
local terms energy: -43.702910
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -4.379
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: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -74.333235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.333235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.333235 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -28.631
Base-Backbone interact. energy: -0.308
local terms energy: -45.394021
where:
bonds (distance) C4'-P energy: -4.967
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -219.124386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.124386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.124386 (E_RNA)
where:
Base-Base interactions energy: -140.915
where: short stacking energy: -77.668
Base-Backbone interact. energy: -0.002
local terms energy: -78.207148
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -215.099733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.099733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.099733 (E_RNA)
where:
Base-Base interactions energy: -138.272
where: short stacking energy: -70.734
Base-Backbone interact. energy: -0.023
local terms energy: -76.805599
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -215.115041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.115041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.115041 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -71.147
Base-Backbone interact. energy: -0.022
local terms energy: -74.037314
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -20.835
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: 297
Temperature: 1.050000
Total energy: -196.005522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.005522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.005522 (E_RNA)
where:
Base-Base interactions energy: -131.576
where: short stacking energy: -56.084
Base-Backbone interact. energy: 0.203
local terms energy: -64.631660
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -185.097043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.097043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.097043 (E_RNA)
where:
Base-Base interactions energy: -118.055
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.089
local terms energy: -66.952788
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -94.276467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276467 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -34.828
Base-Backbone interact. energy: -0.153
local terms energy: -59.295760
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -88.792962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792962 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -31.536
Base-Backbone interact. energy: -0.125
local terms energy: -49.839514
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -98.222715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.222715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.222715 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -38.860
Base-Backbone interact. energy: -0.096
local terms energy: -55.201480
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -82.484059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.484059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.484059 (E_RNA)
where:
Base-Base interactions energy: -23.674
where: short stacking energy: -22.908
Base-Backbone interact. energy: -0.441
local terms energy: -58.368994
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -89.337878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.337878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.337878 (E_RNA)
where:
Base-Base interactions energy: -27.837
where: short stacking energy: -27.837
Base-Backbone interact. energy: -0.089
local terms energy: -61.411137
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -5.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -223.576907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.576907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.576907 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.396
local terms energy: -81.063250
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -21.363
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: 5
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -220.191176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.191176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.191176 (E_RNA)
where:
Base-Base interactions energy: -136.456
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.564
local terms energy: -83.170649
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -11.889
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: 3, replica: 9
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -211.875656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.875656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.875656 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -70.415
Base-Backbone interact. energy: -0.084
local terms energy: -74.449037
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -193.468950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.468950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.468950 (E_RNA)
where:
Base-Base interactions energy: -122.640
where: short stacking energy: -65.814
Base-Backbone interact. energy: -0.058
local terms energy: -70.770270
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -17.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -196.758329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.758329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.758329 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -60.275
Base-Backbone interact. energy: -0.026
local terms energy: -72.203905
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -13.431
tors. eta vs tors. theta energy: -18.377
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: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -107.984874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.984874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.984874 (E_RNA)
where:
Base-Base interactions energy: -56.045
where: short stacking energy: -41.475
Base-Backbone interact. energy: -0.008
local terms energy: -51.932070
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -2.216
tors. eta vs tors. theta energy: -8.533
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -94.516169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.516169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.516169 (E_RNA)
where:
Base-Base interactions energy: -48.683
where: short stacking energy: -38.447
Base-Backbone interact. energy: -0.074
local terms energy: -45.759529
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -87.325307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.325307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.325307 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -33.690
Base-Backbone interact. energy: -0.105
local terms energy: -52.829137
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -6.155
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -80.737787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.737787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.737787 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -16.339
Base-Backbone interact. energy: -0.426
local terms energy: -51.757990
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: 1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -80.080595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.080595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.080595 (E_RNA)
where:
Base-Base interactions energy: -29.446
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.137
local terms energy: -50.497949
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -1.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -226.123200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.123200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.123200 (E_RNA)
where:
Base-Base interactions energy: -146.739
where: short stacking energy: -76.010
Base-Backbone interact. energy: 0.456
local terms energy: -79.840753
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -221.318917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.318917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.318917 (E_RNA)
where:
Base-Base interactions energy: -139.736
where: short stacking energy: -66.922
Base-Backbone interact. energy: 0.844
local terms energy: -82.427447
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -207.147106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.147106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.147106 (E_RNA)
where:
Base-Base interactions energy: -132.431
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.112
local terms energy: -74.604124
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -181.513299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.513299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.513299 (E_RNA)
where:
Base-Base interactions energy: -115.427
where: short stacking energy: -49.925
Base-Backbone interact. energy: -0.360
local terms energy: -65.726591
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -8.072
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -199.993582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.993582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.993582 (E_RNA)
where:
Base-Base interactions energy: -130.505
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.037
local terms energy: -69.451803
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -20.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -89.998365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.998365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.998365 (E_RNA)
where:
Base-Base interactions energy: -40.564
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.159
local terms energy: -49.275398
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -4.520
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: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -110.945706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.945706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.945706 (E_RNA)
where:
Base-Base interactions energy: -47.085
where: short stacking energy: -24.107
Base-Backbone interact. energy: -0.614
local terms energy: -63.246234
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -2.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -82.098490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.098490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.098490 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -21.501
Base-Backbone interact. energy: -0.539
local terms energy: -53.997796
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -7.792
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -79.013499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013499 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -25.457
Base-Backbone interact. energy: -0.406
local terms energy: -41.271230
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -6.649
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -77.822213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.822213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.822213 (E_RNA)
where:
Base-Base interactions energy: -24.945
where: short stacking energy: -24.945
Base-Backbone interact. energy: 1.548
local terms energy: -54.425387
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -5.356
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -220.084548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.084548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.084548 (E_RNA)
where:
Base-Base interactions energy: -141.188
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.026
local terms energy: -78.871259
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -216.312462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.312462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.312462 (E_RNA)
where:
Base-Base interactions energy: -134.833
where: short stacking energy: -68.654
Base-Backbone interact. energy: -1.786
local terms energy: -79.693123
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -19.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -207.924125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.924125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.924125 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -69.651
Base-Backbone interact. energy: -0.005
local terms energy: -81.120977
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -21.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -207.838568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.838568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.838568 (E_RNA)
where:
Base-Base interactions energy: -134.595
where: short stacking energy: -62.019
Base-Backbone interact. energy: 0.319
local terms energy: -73.563374
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.458
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: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -197.308024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.308024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.308024 (E_RNA)
where:
Base-Base interactions energy: -129.303
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.561
local terms energy: -67.444548
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -103.227240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.227240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.227240 (E_RNA)
where:
Base-Base interactions energy: -56.657
where: short stacking energy: -38.677
Base-Backbone interact. energy: -0.275
local terms energy: -46.294881
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -93.415000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.415000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.415000 (E_RNA)
where:
Base-Base interactions energy: -52.715
where: short stacking energy: -34.449
Base-Backbone interact. energy: 2.103
local terms energy: -42.803169
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -3.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -90.010265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.010265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.010265 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -28.613
Base-Backbone interact. energy: -0.484
local terms energy: -48.059047
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -83.774841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.774841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.774841 (E_RNA)
where:
Base-Base interactions energy: -27.216
where: short stacking energy: -20.572
Base-Backbone interact. energy: -0.372
local terms energy: -56.186258
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -91.523656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.523656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.523656 (E_RNA)
where:
Base-Base interactions energy: -36.229
where: short stacking energy: -22.803
Base-Backbone interact. energy: -0.225
local terms energy: -55.069228
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -9.508
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -217.667625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.667625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.667625 (E_RNA)
where:
Base-Base interactions energy: -137.555
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.092
local terms energy: -80.020540
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -13.346
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: 2, replica: 5
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -205.880288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.880288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.880288 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -65.995
Base-Backbone interact. energy: -0.006
local terms energy: -77.992413
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -211.171756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171756 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.619
local terms energy: -78.423185
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -20.976
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: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -208.657564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.657564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.657564 (E_RNA)
where:
Base-Base interactions energy: -137.772
where: short stacking energy: -71.969
Base-Backbone interact. energy: 1.009
local terms energy: -71.894112
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -178.878074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.878074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.878074 (E_RNA)
where:
Base-Base interactions energy: -115.513
where: short stacking energy: -48.366
Base-Backbone interact. energy: -0.850
local terms energy: -62.514688
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -10.444
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: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -99.055925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.055925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.055925 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -36.696
Base-Backbone interact. energy: 0.394
local terms energy: -55.432327
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -104.918927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918927 (E_RNA)
where:
Base-Base interactions energy: -50.659
where: short stacking energy: -35.035
Base-Backbone interact. energy: -0.027
local terms energy: -54.232874
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -86.379613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.379613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.379613 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -29.095
Base-Backbone interact. energy: 0.010
local terms energy: -49.324557
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -88.786477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.786477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.786477 (E_RNA)
where:
Base-Base interactions energy: -42.724
where: short stacking energy: -26.143
Base-Backbone interact. energy: 0.159
local terms energy: -46.221650
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -74.061155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.061155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.061155 (E_RNA)
where:
Base-Base interactions energy: -29.900
where: short stacking energy: -25.205
Base-Backbone interact. energy: -0.193
local terms energy: -43.967684
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -191.541761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.541761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.541761 (E_RNA)
where:
Base-Base interactions energy: -117.943
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.021
local terms energy: -73.578239
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -211.515463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.515463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.515463 (E_RNA)
where:
Base-Base interactions energy: -127.773
where: short stacking energy: -64.829
Base-Backbone interact. energy: -0.805
local terms energy: -82.937446
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -205.680173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.680173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.680173 (E_RNA)
where:
Base-Base interactions energy: -133.633
where: short stacking energy: -71.333
Base-Backbone interact. energy: -0.048
local terms energy: -71.998416
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -17.305
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: 9
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -210.768095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.768095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.768095 (E_RNA)
where:
Base-Base interactions energy: -140.285
where: short stacking energy: -67.761
Base-Backbone interact. energy: -0.067
local terms energy: -70.416481
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -198.943449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.943449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.943449 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.611
local terms energy: -66.888657
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -11.639
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.853
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: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -101.189290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.189290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.189290 (E_RNA)
where:
Base-Base interactions energy: -52.064
where: short stacking energy: -35.515
Base-Backbone interact. energy: -1.107
local terms energy: -48.018824
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -12.503
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -90.512570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.512570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.512570 (E_RNA)
where:
Base-Base interactions energy: -37.827
where: short stacking energy: -30.753
Base-Backbone interact. energy: 0.484
local terms energy: -53.170132
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.078
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: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -83.944854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.944854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.944854 (E_RNA)
where:
Base-Base interactions energy: -42.213
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.335
local terms energy: -41.397325
where:
bonds (distance) C4'-P energy: -6.907
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: 0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -73.567779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.567779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.567779 (E_RNA)
where:
Base-Base interactions energy: -24.719
where: short stacking energy: -23.278
Base-Backbone interact. energy: -0.083
local terms energy: -48.765754
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.171
tors. eta vs tors. theta energy: -2.941
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: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -75.442910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.442910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.442910 (E_RNA)
where:
Base-Base interactions energy: -36.353
where: short stacking energy: -21.647
Base-Backbone interact. energy: 0.384
local terms energy: -39.473615
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -4.673
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -208.101168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101168 (E_RNA)
where:
Base-Base interactions energy: -137.675
where: short stacking energy: -66.233
Base-Backbone interact. energy: -0.623
local terms energy: -69.803305
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -209.834478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834478 (E_RNA)
where:
Base-Base interactions energy: -133.137
where: short stacking energy: -66.560
Base-Backbone interact. energy: -0.103
local terms energy: -76.594947
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -215.500516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.500516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.500516 (E_RNA)
where:
Base-Base interactions energy: -143.722
where: short stacking energy: -75.076
Base-Backbone interact. energy: 1.458
local terms energy: -73.235883
where:
bonds (distance) C4'-P energy: -14.759
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -19.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -205.457149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.457149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.457149 (E_RNA)
where:
Base-Base interactions energy: -136.670
where: short stacking energy: -54.833
Base-Backbone interact. energy: 1.163
local terms energy: -69.950251
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -207.450962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.450962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.450962 (E_RNA)
where:
Base-Base interactions energy: -131.581
where: short stacking energy: -63.195
Base-Backbone interact. energy: 0.383
local terms energy: -76.252607
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -18.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -107.968547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.968547 (E_RNA)
where:
Base-Base interactions energy: -52.619
where: short stacking energy: -35.890
Base-Backbone interact. energy: -0.346
local terms energy: -55.003245
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -105.053675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.053675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.053675 (E_RNA)
where:
Base-Base interactions energy: -48.577
where: short stacking energy: -32.211
Base-Backbone interact. energy: 0.702
local terms energy: -57.178686
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -6.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -90.453118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.453118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.453118 (E_RNA)
where:
Base-Base interactions energy: -44.499
where: short stacking energy: -36.162
Base-Backbone interact. energy: -0.530
local terms energy: -45.424064
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -4.360
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: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -82.985832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985832 (E_RNA)
where:
Base-Base interactions energy: -29.295
where: short stacking energy: -29.295
Base-Backbone interact. energy: -0.198
local terms energy: -53.492185
where:
bonds (distance) C4'-P energy: -10.025
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -9.399
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: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -85.192669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192669 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -35.540
Base-Backbone interact. energy: -0.074
local terms energy: -49.060033
where:
bonds (distance) C4'-P energy: -5.015
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -5.674
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -222.768137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.768137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.768137 (E_RNA)
where:
Base-Base interactions energy: -143.636
where: short stacking energy: -75.978
Base-Backbone interact. energy: 0.265
local terms energy: -79.396625
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -216.349062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.349062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.349062 (E_RNA)
where:
Base-Base interactions energy: -140.053
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.008
local terms energy: -76.288269
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -19.918
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: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -205.070019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.070019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.070019 (E_RNA)
where:
Base-Base interactions energy: -130.203
where: short stacking energy: -68.401
Base-Backbone interact. energy: -1.067
local terms energy: -73.799780
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -204.824525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.824525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.824525 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -66.944
Base-Backbone interact. energy: -0.075
local terms energy: -72.806873
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -173.746200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.746200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.746200 (E_RNA)
where:
Base-Base interactions energy: -114.393
where: short stacking energy: -48.658
Base-Backbone interact. energy: -0.298
local terms energy: -59.054493
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -10.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -104.287512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.287512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.287512 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.326
local terms energy: -52.683356
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -5.288
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: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -99.270079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.270079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.270079 (E_RNA)
where:
Base-Base interactions energy: -38.978
where: short stacking energy: -38.886
Base-Backbone interact. energy: 0.128
local terms energy: -60.420473
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -106.583246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.583246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.583246 (E_RNA)
where:
Base-Base interactions energy: -51.995
where: short stacking energy: -31.282
Base-Backbone interact. energy: -0.194
local terms energy: -54.394262
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -93.099591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.099591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.099591 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -30.768
Base-Backbone interact. energy: -0.019
local terms energy: -62.311897
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -76.500243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.500243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.500243 (E_RNA)
where:
Base-Base interactions energy: -27.076
where: short stacking energy: -27.076
Base-Backbone interact. energy: -0.958
local terms energy: -48.466282
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -214.490112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.490112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.490112 (E_RNA)
where:
Base-Base interactions energy: -143.596
where: short stacking energy: -69.039
Base-Backbone interact. energy: -0.968
local terms energy: -69.926144
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -5.661
tors. eta vs tors. theta energy: -19.373
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: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -216.898486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.898486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.898486 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -77.537
Base-Backbone interact. energy: -0.637
local terms energy: -77.849236
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -189.678805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.678805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.678805 (E_RNA)
where:
Base-Base interactions energy: -117.674
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.088
local terms energy: -71.916673
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -201.211934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.211934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.211934 (E_RNA)
where:
Base-Base interactions energy: -130.680
where: short stacking energy: -59.859
Base-Backbone interact. energy: -0.357
local terms energy: -70.174317
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -176.727468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.727468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.727468 (E_RNA)
where:
Base-Base interactions energy: -112.674
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.295
local terms energy: -63.757541
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -95.521004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.521004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.521004 (E_RNA)
where:
Base-Base interactions energy: -45.839
where: short stacking energy: -35.861
Base-Backbone interact. energy: -0.253
local terms energy: -49.428395
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -96.898494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.898494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.898494 (E_RNA)
where:
Base-Base interactions energy: -38.232
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.773
local terms energy: -57.893269
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -85.524136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.524136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.524136 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -33.816
Base-Backbone interact. energy: -0.021
local terms energy: -51.414702
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -76.723833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.723833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.723833 (E_RNA)
where:
Base-Base interactions energy: -29.712
where: short stacking energy: -29.693
Base-Backbone interact. energy: 0.151
local terms energy: -47.162584
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -10.400
flat angles P-C4'-P energy: -4.956
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -84.786699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.786699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.786699 (E_RNA)
where:
Base-Base interactions energy: -39.112
where: short stacking energy: -26.347
Base-Backbone interact. energy: -0.287
local terms energy: -45.387988
where:
bonds (distance) C4'-P energy: -8.584
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: 0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -217.698374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.698374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.698374 (E_RNA)
where:
Base-Base interactions energy: -140.266
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.008
local terms energy: -77.424311
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -211.009275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.009275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.009275 (E_RNA)
where:
Base-Base interactions energy: -138.802
where: short stacking energy: -66.973
Base-Backbone interact. energy: -0.130
local terms energy: -72.076950
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -17.408
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: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -206.965496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.965496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.965496 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -62.970
Base-Backbone interact. energy: -0.957
local terms energy: -67.786597
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -13.923
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: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -182.483628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.483628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483628 (E_RNA)
where:
Base-Base interactions energy: -118.418
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.033
local terms energy: -64.032126
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -189.201055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.201055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.201055 (E_RNA)
where:
Base-Base interactions energy: -120.080
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.706
local terms energy: -68.414480
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -10.430
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -19.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -104.272641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.272641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.272641 (E_RNA)
where:
Base-Base interactions energy: -42.340
where: short stacking energy: -34.923
Base-Backbone interact. energy: -1.142
local terms energy: -60.791421
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -109.179851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.179851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.179851 (E_RNA)
where:
Base-Base interactions energy: -55.181
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.177
local terms energy: -53.821332
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -8.152
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: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -88.751629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.751629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.751629 (E_RNA)
where:
Base-Base interactions energy: -37.336
where: short stacking energy: -37.336
Base-Backbone interact. energy: 0.106
local terms energy: -51.521473
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -3.925
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -80.884800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.884800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.884800 (E_RNA)
where:
Base-Base interactions energy: -31.645
where: short stacking energy: -28.443
Base-Backbone interact. energy: -0.272
local terms energy: -48.967885
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -83.462650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.462650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.462650 (E_RNA)
where:
Base-Base interactions energy: -24.488
where: short stacking energy: -24.488
Base-Backbone interact. energy: -0.120
local terms energy: -58.855315
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -7.341
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -217.146902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.146902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.146902 (E_RNA)
where:
Base-Base interactions energy: -142.740
where: short stacking energy: -73.330
Base-Backbone interact. energy: 1.084
local terms energy: -75.490395
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -212.116267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.116267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.116267 (E_RNA)
where:
Base-Base interactions energy: -129.963
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.012
local terms energy: -82.141250
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -14.339
flat angles P-C4'-P energy: -14.106
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: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -214.993680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993680 (E_RNA)
where:
Base-Base interactions energy: -138.771
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.130
local terms energy: -76.092661
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -185.951307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.951307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.951307 (E_RNA)
where:
Base-Base interactions energy: -118.024
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.144
local terms energy: -67.782966
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -15.410
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: 5, replica: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -212.470814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.470814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.470814 (E_RNA)
where:
Base-Base interactions energy: -134.873
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.712
local terms energy: -76.885614
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -104.436887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.436887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.436887 (E_RNA)
where:
Base-Base interactions energy: -50.303
where: short stacking energy: -43.743
Base-Backbone interact. energy: -0.103
local terms energy: -54.030599
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -106.766986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.766986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.766986 (E_RNA)
where:
Base-Base interactions energy: -54.168
where: short stacking energy: -37.714
Base-Backbone interact. energy: -0.040
local terms energy: -52.558740
where:
bonds (distance) C4'-P energy: -8.170
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -8.615
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -91.090805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.090805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.090805 (E_RNA)
where:
Base-Base interactions energy: -33.503
where: short stacking energy: -33.503
Base-Backbone interact. energy: -0.003
local terms energy: -57.584807
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -88.583588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.583588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.583588 (E_RNA)
where:
Base-Base interactions energy: -28.733
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.129
local terms energy: -59.722181
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -83.177124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.177124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.177124 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -17.584
Base-Backbone interact. energy: -0.325
local terms energy: -49.944630
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: 1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -227.395148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.395148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.395148 (E_RNA)
where:
Base-Base interactions energy: -148.891
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.049
local terms energy: -78.455188
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -217.669342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.669342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.669342 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.041
local terms energy: -75.520601
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -194.754567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.754567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.754567 (E_RNA)
where:
Base-Base interactions energy: -115.649
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.047
local terms energy: -79.058688
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -201.586723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.586723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.586723 (E_RNA)
where:
Base-Base interactions energy: -124.710
where: short stacking energy: -60.669
Base-Backbone interact. energy: -1.123
local terms energy: -75.753738
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -20.506
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -210.237169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.237169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.237169 (E_RNA)
where:
Base-Base interactions energy: -136.845
where: short stacking energy: -65.396
Base-Backbone interact. energy: 1.115
local terms energy: -74.507266
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -20.107
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -95.239083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.239083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.239083 (E_RNA)
where:
Base-Base interactions energy: -45.339
where: short stacking energy: -18.079
Base-Backbone interact. energy: -0.270
local terms energy: -49.629908
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: 0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -102.319699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.319699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.319699 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.425
local terms energy: -54.986107
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -11.344
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -84.646415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.646415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.646415 (E_RNA)
where:
Base-Base interactions energy: -34.516
where: short stacking energy: -33.753
Base-Backbone interact. energy: -0.106
local terms energy: -50.023633
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -4.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -93.514563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.514563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.514563 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -29.699
Base-Backbone interact. energy: -0.274
local terms energy: -49.378408
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -10.100
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: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -68.846711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.846711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.846711 (E_RNA)
where:
Base-Base interactions energy: -20.729
where: short stacking energy: -16.499
Base-Backbone interact. energy: -0.194
local terms energy: -47.924209
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -221.013361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.013361 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -69.275
Base-Backbone interact. energy: -0.009
local terms energy: -82.151805
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -19.796
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: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -211.122157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.122157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.122157 (E_RNA)
where:
Base-Base interactions energy: -134.596
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.022
local terms energy: -76.504192
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.943
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -182.402433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.402433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.402433 (E_RNA)
where:
Base-Base interactions energy: -109.869
where: short stacking energy: -67.306
Base-Backbone interact. energy: -0.682
local terms energy: -71.851742
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -191.458520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.458520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.458520 (E_RNA)
where:
Base-Base interactions energy: -123.001
where: short stacking energy: -57.707
Base-Backbone interact. energy: -0.039
local terms energy: -68.418017
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -200.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.568548 (E_RNA)
where:
Base-Base interactions energy: -127.931
where: short stacking energy: -56.754
Base-Backbone interact. energy: -1.608
local terms energy: -71.029003
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -107.009069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.009069 (E_RNA)
where:
Base-Base interactions energy: -39.964
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.001
local terms energy: -67.044348
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -12.602
tors. eta vs tors. theta energy: -11.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -89.295316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.295316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.295316 (E_RNA)
where:
Base-Base interactions energy: -38.257
where: short stacking energy: -26.084
Base-Backbone interact. energy: -0.290
local terms energy: -50.748073
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -8.581
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: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -84.003181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003181 (E_RNA)
where:
Base-Base interactions energy: -31.133
where: short stacking energy: -30.424
Base-Backbone interact. energy: -0.127
local terms energy: -52.742635
where:
bonds (distance) C4'-P energy: -10.840
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.347
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: 9, replica: 8
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -80.641191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.641191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.641191 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -28.120
Base-Backbone interact. energy: 0.192
local terms energy: -51.576602
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -88.372519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.372519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.372519 (E_RNA)
where:
Base-Base interactions energy: -34.473
where: short stacking energy: -28.028
Base-Backbone interact. energy: -0.016
local terms energy: -53.883551
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -6.789
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -224.024222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.024222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.024222 (E_RNA)
where:
Base-Base interactions energy: -140.366
where: short stacking energy: -76.025
Base-Backbone interact. energy: -0.157
local terms energy: -83.501140
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -23.196
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: 6
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -209.464019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.464019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464019 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.325
local terms energy: -69.658621
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -195.713601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.713601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.713601 (E_RNA)
where:
Base-Base interactions energy: -130.946
where: short stacking energy: -61.224
Base-Backbone interact. energy: 0.853
local terms energy: -65.620610
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -198.175304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.175304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.175304 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -59.370
Base-Backbone interact. energy: -0.177
local terms energy: -74.108815
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -203.968805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968805 (E_RNA)
where:
Base-Base interactions energy: -131.119
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.505
local terms energy: -72.344725
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -15.285
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -21.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -90.804615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.804615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.804615 (E_RNA)
where:
Base-Base interactions energy: -32.048
where: short stacking energy: -32.048
Base-Backbone interact. energy: -0.028
local terms energy: -58.729002
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -6.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -100.092093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.092093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.092093 (E_RNA)
where:
Base-Base interactions energy: -44.081
where: short stacking energy: -31.166
Base-Backbone interact. energy: -0.082
local terms energy: -55.929986
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -95.097987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.097987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.097987 (E_RNA)
where:
Base-Base interactions energy: -35.977
where: short stacking energy: -31.859
Base-Backbone interact. energy: 1.366
local terms energy: -60.486186
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -78.628226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.628226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.628226 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -11.796
Base-Backbone interact. energy: 1.262
local terms energy: -41.084187
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: 4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -72.899821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.899821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.899821 (E_RNA)
where:
Base-Base interactions energy: -21.037
where: short stacking energy: -19.336
Base-Backbone interact. energy: -0.685
local terms energy: -51.177552
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -1.288
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -225.979539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.979539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.979539 (E_RNA)
where:
Base-Base interactions energy: -147.977
where: short stacking energy: -72.768
Base-Backbone interact. energy: -0.002
local terms energy: -77.999980
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -17.330
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: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -219.627594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.627594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.627594 (E_RNA)
where:
Base-Base interactions energy: -140.147
where: short stacking energy: -67.288
Base-Backbone interact. energy: 0.217
local terms energy: -79.697324
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -19.289
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: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -204.227043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.227043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.227043 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -69.270
Base-Backbone interact. energy: -0.248
local terms energy: -73.041642
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.858
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -175.018594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.018594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.018594 (E_RNA)
where:
Base-Base interactions energy: -116.615
where: short stacking energy: -54.883
Base-Backbone interact. energy: 0.271
local terms energy: -58.674817
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -208.471716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.471716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.471716 (E_RNA)
where:
Base-Base interactions energy: -138.691
where: short stacking energy: -64.536
Base-Backbone interact. energy: 0.037
local terms energy: -69.817717
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -19.448
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -101.552203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.552203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.552203 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -42.200
Base-Backbone interact. energy: -0.008
local terms energy: -59.343387
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -9.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -87.168770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168770 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -32.177
Base-Backbone interact. energy: -0.211
local terms energy: -54.780189
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -79.805594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.805594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.805594 (E_RNA)
where:
Base-Base interactions energy: -24.957
where: short stacking energy: -24.957
Base-Backbone interact. energy: 1.846
local terms energy: -56.694806
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -80.527897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.527897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.527897 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -24.655
Base-Backbone interact. energy: -0.528
local terms energy: -54.478061
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -11.067
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -78.041567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.041567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.041567 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -15.051
Base-Backbone interact. energy: 0.263
local terms energy: -48.536949
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -222.752184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.752184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.752184 (E_RNA)
where:
Base-Base interactions energy: -141.750
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.014
local terms energy: -80.987537
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -21.656
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: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -216.471287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.471287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.471287 (E_RNA)
where:
Base-Base interactions energy: -141.753
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.420
local terms energy: -74.298947
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.568
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: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -210.253882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.253882 (E_RNA)
where:
Base-Base interactions energy: -133.810
where: short stacking energy: -63.852
Base-Backbone interact. energy: -0.022
local terms energy: -76.421764
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -203.509955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.509955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.509955 (E_RNA)
where:
Base-Base interactions energy: -126.140
where: short stacking energy: -63.926
Base-Backbone interact. energy: 0.353
local terms energy: -77.723038
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -188.514063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.514063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.514063 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -55.603
Base-Backbone interact. energy: 0.510
local terms energy: -64.104810
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -8.288
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: 312
Temperature: 1.150000
Total energy: -134.128704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.128704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.128704 (E_RNA)
where:
Base-Base interactions energy: -72.035
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.033
local terms energy: -62.059848
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -87.705015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.705015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.705015 (E_RNA)
where:
Base-Base interactions energy: -35.233
where: short stacking energy: -26.162
Base-Backbone interact. energy: 0.306
local terms energy: -52.777746
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -5.523
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: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -85.987369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.987369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.987369 (E_RNA)
where:
Base-Base interactions energy: -23.433
where: short stacking energy: -21.921
Base-Backbone interact. energy: -0.118
local terms energy: -62.436311
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -4.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -90.543455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543455 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -29.535
Base-Backbone interact. energy: -0.053
local terms energy: -58.817717
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -81.442797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.442797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.442797 (E_RNA)
where:
Base-Base interactions energy: -34.038
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.069
local terms energy: -47.335411
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -4.726
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -216.992333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.992333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.992333 (E_RNA)
where:
Base-Base interactions energy: -135.884
where: short stacking energy: -72.406
Base-Backbone interact. energy: -0.034
local terms energy: -81.073908
where:
bonds (distance) C4'-P energy: -14.035
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -213.082887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.082887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.082887 (E_RNA)
where:
Base-Base interactions energy: -133.786
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.062
local terms energy: -79.234922
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -188.469874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.469874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.469874 (E_RNA)
where:
Base-Base interactions energy: -118.284
where: short stacking energy: -59.758
Base-Backbone interact. energy: -0.024
local terms energy: -70.161667
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -17.793
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: 313
Temperature: 1.050000
Total energy: -198.213693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.213693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.213693 (E_RNA)
where:
Base-Base interactions energy: -133.906
where: short stacking energy: -70.976
Base-Backbone interact. energy: -0.016
local terms energy: -64.291561
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -15.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -191.276679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.276679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.276679 (E_RNA)
where:
Base-Base interactions energy: -123.113
where: short stacking energy: -62.289
Base-Backbone interact. energy: -1.027
local terms energy: -67.136057
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -6.451
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: 6, replica: 3
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -91.830430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.830430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.830430 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -29.446
Base-Backbone interact. energy: -0.251
local terms energy: -53.614251
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -5.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -104.734765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.734765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.734765 (E_RNA)
where:
Base-Base interactions energy: -57.528
where: short stacking energy: -28.483
Base-Backbone interact. energy: 0.170
local terms energy: -47.376809
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: 2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -118.227155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.227155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.227155 (E_RNA)
where:
Base-Base interactions energy: -61.714
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.207
local terms energy: -56.306065
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -77.613008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.613008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.613008 (E_RNA)
where:
Base-Base interactions energy: -31.418
where: short stacking energy: -26.010
Base-Backbone interact. energy: -0.053
local terms energy: -46.142399
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -3.078
tors. eta vs tors. theta energy: -4.607
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: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -75.289152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289152 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -24.208
Base-Backbone interact. energy: -0.047
local terms energy: -48.221449
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -222.685311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.685311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.685311 (E_RNA)
where:
Base-Base interactions energy: -144.518
where: short stacking energy: -77.322
Base-Backbone interact. energy: -0.007
local terms energy: -78.160339
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -213.278147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.278147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.278147 (E_RNA)
where:
Base-Base interactions energy: -136.020
where: short stacking energy: -67.599
Base-Backbone interact. energy: -0.294
local terms energy: -76.963671
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -19.394
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: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -211.834269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.834269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.834269 (E_RNA)
where:
Base-Base interactions energy: -135.370
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.102
local terms energy: -76.362162
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -6.326
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: 314
Temperature: 1.050000
Total energy: -187.570567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.570567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570567 (E_RNA)
where:
Base-Base interactions energy: -122.322
where: short stacking energy: -54.051
Base-Backbone interact. energy: 2.008
local terms energy: -67.257024
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -12.449
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: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -187.403864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.403864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.403864 (E_RNA)
where:
Base-Base interactions energy: -122.990
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.017
local terms energy: -64.396627
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -17.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -99.691533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.691533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.691533 (E_RNA)
where:
Base-Base interactions energy: -46.782
where: short stacking energy: -30.916
Base-Backbone interact. energy: -0.450
local terms energy: -52.460281
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -145.654560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.654560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.654560 (E_RNA)
where:
Base-Base interactions energy: -84.238
where: short stacking energy: -43.633
Base-Backbone interact. energy: -0.033
local terms energy: -61.384283
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -107.822397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.822397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.822397 (E_RNA)
where:
Base-Base interactions energy: -64.220
where: short stacking energy: -31.582
Base-Backbone interact. energy: -1.150
local terms energy: -42.452857
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -5.616
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -70.463418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.463418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.463418 (E_RNA)
where:
Base-Base interactions energy: -17.739
where: short stacking energy: -17.120
Base-Backbone interact. energy: -1.042
local terms energy: -51.682367
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.941
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: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -72.234084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.234084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.234084 (E_RNA)
where:
Base-Base interactions energy: -26.827
where: short stacking energy: -22.219
Base-Backbone interact. energy: -0.232
local terms energy: -45.174901
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -224.630646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630646 (E_RNA)
where:
Base-Base interactions energy: -145.377
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.102
local terms energy: -79.151530
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -218.647346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.647346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.647346 (E_RNA)
where:
Base-Base interactions energy: -144.726
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.557
local terms energy: -73.364622
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -19.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -210.718035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.718035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.718035 (E_RNA)
where:
Base-Base interactions energy: -140.444
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.071
local terms energy: -70.202982
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -190.886395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.886395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.886395 (E_RNA)
where:
Base-Base interactions energy: -119.828
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.518
local terms energy: -70.540128
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -14.996
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: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -183.068435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.068435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.068435 (E_RNA)
where:
Base-Base interactions energy: -111.209
where: short stacking energy: -55.798
Base-Backbone interact. energy: -0.030
local terms energy: -71.829604
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -141.142817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.142817 (E_RNA)
where:
Base-Base interactions energy: -81.009
where: short stacking energy: -50.681
Base-Backbone interact. energy: -0.295
local terms energy: -59.838432
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -8.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -96.035889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.035889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.035889 (E_RNA)
where:
Base-Base interactions energy: -34.535
where: short stacking energy: -34.535
Base-Backbone interact. energy: -1.226
local terms energy: -60.275228
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -80.036734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.036734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.036734 (E_RNA)
where:
Base-Base interactions energy: -21.808
where: short stacking energy: -20.326
Base-Backbone interact. energy: -0.068
local terms energy: -58.160682
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -76.765172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.765172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.765172 (E_RNA)
where:
Base-Base interactions energy: -25.582
where: short stacking energy: -24.685
Base-Backbone interact. energy: -0.003
local terms energy: -51.181038
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -4.227
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -80.743766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.743766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.743766 (E_RNA)
where:
Base-Base interactions energy: -22.927
where: short stacking energy: -20.706
Base-Backbone interact. energy: -0.107
local terms energy: -57.709704
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -219.341882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.341882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.341882 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.101
local terms energy: -79.469902
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.788
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -210.953301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.953301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.953301 (E_RNA)
where:
Base-Base interactions energy: -138.569
where: short stacking energy: -71.868
Base-Backbone interact. energy: -0.467
local terms energy: -71.917337
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -14.506
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: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -205.170594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.170594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.170594 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -61.841
Base-Backbone interact. energy: -0.073
local terms energy: -78.528844
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -21.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -188.510821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.510821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.510821 (E_RNA)
where:
Base-Base interactions energy: -121.630
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.058
local terms energy: -66.822105
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -15.440
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: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -156.037491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.037491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.037491 (E_RNA)
where:
Base-Base interactions energy: -90.478
where: short stacking energy: -43.738
Base-Backbone interact. energy: -0.056
local terms energy: -65.503129
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -8.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -186.238112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.238112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.238112 (E_RNA)
where:
Base-Base interactions energy: -116.010
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.543
local terms energy: -69.685324
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -91.218041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.218041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.218041 (E_RNA)
where:
Base-Base interactions energy: -38.083
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.161
local terms energy: -52.973846
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -6.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -86.925156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.925156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.925156 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -24.989
Base-Backbone interact. energy: -0.038
local terms energy: -50.920453
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -77.615813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615813 (E_RNA)
where:
Base-Base interactions energy: -25.266
where: short stacking energy: -25.266
Base-Backbone interact. energy: -0.235
local terms energy: -52.114437
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.086
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: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -80.576792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.576792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.576792 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -30.729
Base-Backbone interact. energy: 0.059
local terms energy: -44.383375
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -4.375
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -222.361704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.361704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.361704 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.075
local terms energy: -81.538078
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -218.494251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.494251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.494251 (E_RNA)
where:
Base-Base interactions energy: -144.261
where: short stacking energy: -64.180
Base-Backbone interact. energy: 0.182
local terms energy: -74.414976
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -19.926
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: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -198.109066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.109066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.109066 (E_RNA)
where:
Base-Base interactions energy: -128.178
where: short stacking energy: -60.056
Base-Backbone interact. energy: 0.209
local terms energy: -70.139816
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.652
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -194.683159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.683159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.683159 (E_RNA)
where:
Base-Base interactions energy: -126.793
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.002
local terms energy: -67.888957
where:
bonds (distance) C4'-P energy: -6.861
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -17.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -140.449055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.449055 (E_RNA)
where:
Base-Base interactions energy: -82.952
where: short stacking energy: -44.600
Base-Backbone interact. energy: -0.703
local terms energy: -56.794080
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -175.845335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.845335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.845335 (E_RNA)
where:
Base-Base interactions energy: -105.765
where: short stacking energy: -51.590
Base-Backbone interact. energy: -0.006
local terms energy: -70.075012
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -95.626037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626037 (E_RNA)
where:
Base-Base interactions energy: -38.367
where: short stacking energy: -35.032
Base-Backbone interact. energy: -0.078
local terms energy: -57.181145
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -7.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -81.507978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507978 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.022
local terms energy: -52.696472
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -77.282326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.282326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.282326 (E_RNA)
where:
Base-Base interactions energy: -26.600
where: short stacking energy: -26.281
Base-Backbone interact. energy: -0.256
local terms energy: -50.427021
where:
bonds (distance) C4'-P energy: -9.232
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -72.425946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.425946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.425946 (E_RNA)
where:
Base-Base interactions energy: -38.654
where: short stacking energy: -19.519
Base-Backbone interact. energy: 4.545
local terms energy: -38.317184
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 1.914
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -225.024070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.024070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.024070 (E_RNA)
where:
Base-Base interactions energy: -144.590
where: short stacking energy: -75.162
Base-Backbone interact. energy: 0.097
local terms energy: -80.530869
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -224.390783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.390783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.390783 (E_RNA)
where:
Base-Base interactions energy: -148.022
where: short stacking energy: -74.109
Base-Backbone interact. energy: -0.031
local terms energy: -76.337774
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -186.709388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.709388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.709388 (E_RNA)
where:
Base-Base interactions energy: -118.716
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.002
local terms energy: -67.991013
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -176.900211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.900211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.900211 (E_RNA)
where:
Base-Base interactions energy: -111.161
where: short stacking energy: -47.157
Base-Backbone interact. energy: -0.025
local terms energy: -65.714574
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -195.378202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378202 (E_RNA)
where:
Base-Base interactions energy: -129.245
where: short stacking energy: -49.181
Base-Backbone interact. energy: -0.196
local terms energy: -65.937580
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -11.844
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: 7
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -123.670868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.670868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.670868 (E_RNA)
where:
Base-Base interactions energy: -75.278
where: short stacking energy: -32.369
Base-Backbone interact. energy: 0.276
local terms energy: -48.669326
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -8.458
flat angles P-C4'-P energy: -4.136
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -83.174688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174688 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -23.961
Base-Backbone interact. energy: 0.241
local terms energy: -54.266996
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -12.435
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -83.624034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624034 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -28.429
Base-Backbone interact. energy: -0.104
local terms energy: -52.604664
where:
bonds (distance) C4'-P energy: -10.617
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -7.018
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: 318
Temperature: 1.300000
Total energy: -72.049704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.049704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.049704 (E_RNA)
where:
Base-Base interactions energy: -25.166
where: short stacking energy: -17.553
Base-Backbone interact. energy: -0.113
local terms energy: -46.770036
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: 1.829
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: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -73.329306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.329306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.329306 (E_RNA)
where:
Base-Base interactions energy: -31.944
where: short stacking energy: -31.944
Base-Backbone interact. energy: -0.166
local terms energy: -41.219605
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -9.983
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -223.539632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.539632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.539632 (E_RNA)
where:
Base-Base interactions energy: -148.313
where: short stacking energy: -76.219
Base-Backbone interact. energy: -0.007
local terms energy: -75.219655
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -191.704161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.704161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.704161 (E_RNA)
where:
Base-Base interactions energy: -113.339
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.115
local terms energy: -78.250688
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -218.961891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.961891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.961891 (E_RNA)
where:
Base-Base interactions energy: -141.245
where: short stacking energy: -68.862
Base-Backbone interact. energy: -0.016
local terms energy: -77.701365
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -198.542804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.542804 (E_RNA)
where:
Base-Base interactions energy: -127.278
where: short stacking energy: -60.616
Base-Backbone interact. energy: 0.251
local terms energy: -71.515960
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -11.032
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -182.985349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.985349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.985349 (E_RNA)
where:
Base-Base interactions energy: -119.318
where: short stacking energy: -49.132
Base-Backbone interact. energy: -0.110
local terms energy: -63.557446
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -106.211882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.211882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.211882 (E_RNA)
where:
Base-Base interactions energy: -44.131
where: short stacking energy: -27.567
Base-Backbone interact. energy: -0.227
local terms energy: -61.853526
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -10.195
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: 7
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -124.391467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.391467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.391467 (E_RNA)
where:
Base-Base interactions energy: -72.688
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.933
local terms energy: -50.769881
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -81.740913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.740913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.740913 (E_RNA)
where:
Base-Base interactions energy: -40.404
where: short stacking energy: -30.126
Base-Backbone interact. energy: -0.063
local terms energy: -41.274787
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -14.049
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -0.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -81.002793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.002793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.002793 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.248
Base-Backbone interact. energy: -0.118
local terms energy: -49.586100
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -89.024189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.024189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.024189 (E_RNA)
where:
Base-Base interactions energy: -38.589
where: short stacking energy: -26.644
Base-Backbone interact. energy: -0.038
local terms energy: -50.397053
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -220.877087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.877087 (E_RNA)
where:
Base-Base interactions energy: -143.920
where: short stacking energy: -71.925
Base-Backbone interact. energy: -0.949
local terms energy: -76.008495
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -195.929389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.929389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.929389 (E_RNA)
where:
Base-Base interactions energy: -120.128
where: short stacking energy: -58.570
Base-Backbone interact. energy: -0.158
local terms energy: -75.642580
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -214.437672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.437672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.437672 (E_RNA)
where:
Base-Base interactions energy: -132.878
where: short stacking energy: -65.830
Base-Backbone interact. energy: 1.336
local terms energy: -82.895835
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -195.508376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.508376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.508376 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -57.534
Base-Backbone interact. energy: -0.437
local terms energy: -69.608348
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -184.301818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301818 (E_RNA)
where:
Base-Base interactions energy: -118.819
where: short stacking energy: -59.096
Base-Backbone interact. energy: -0.004
local terms energy: -65.478005
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -11.764
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: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -90.199355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.199355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.199355 (E_RNA)
where:
Base-Base interactions energy: -34.143
where: short stacking energy: -24.432
Base-Backbone interact. energy: -0.464
local terms energy: -55.592228
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -4.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -90.761253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.761253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.761253 (E_RNA)
where:
Base-Base interactions energy: -40.605
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.104
local terms energy: -50.052142
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -6.128
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -125.700528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.700528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.700528 (E_RNA)
where:
Base-Base interactions energy: -75.931
where: short stacking energy: -28.841
Base-Backbone interact. energy: -0.381
local terms energy: -49.387947
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -71.480104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.480104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.480104 (E_RNA)
where:
Base-Base interactions energy: -30.268
where: short stacking energy: -30.268
Base-Backbone interact. energy: -0.084
local terms energy: -41.128152
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -78.022610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.022610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.022610 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -24.313
Base-Backbone interact. energy: -0.459
local terms energy: -46.245551
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -1.125
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -228.998810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.998810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.998810 (E_RNA)
where:
Base-Base interactions energy: -148.002
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.052
local terms energy: -80.944284
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -13.163
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: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -215.122650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.122650 (E_RNA)
where:
Base-Base interactions energy: -133.451
where: short stacking energy: -67.058
Base-Backbone interact. energy: -0.666
local terms energy: -81.005095
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -22.212
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: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -194.084665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.084665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.084665 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -62.704
Base-Backbone interact. energy: -0.281
local terms energy: -62.946525
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -193.266123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266123 (E_RNA)
where:
Base-Base interactions energy: -128.619
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.063
local terms energy: -64.583706
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -4.281
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -186.968279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.968279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.968279 (E_RNA)
where:
Base-Base interactions energy: -116.443
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.021
local terms energy: -70.504812
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -94.336630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.336630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.336630 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -27.255
Base-Backbone interact. energy: 5.292
local terms energy: -61.481446
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -7.439
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: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -82.373795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.373795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.373795 (E_RNA)
where:
Base-Base interactions energy: -39.210
where: short stacking energy: -25.701
Base-Backbone interact. energy: -0.373
local terms energy: -42.790612
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -6.702
flat angles P-C4'-P energy: -7.167
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: 8, replica: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -81.078275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.078275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.078275 (E_RNA)
where:
Base-Base interactions energy: -32.180
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.374
local terms energy: -48.523569
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -6.906
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -71.367607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.367607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.367607 (E_RNA)
where:
Base-Base interactions energy: -23.540
where: short stacking energy: -18.873
Base-Backbone interact. energy: 1.969
local terms energy: -49.796950
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -69.558551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.558551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.558551 (E_RNA)
where:
Base-Base interactions energy: -26.316
where: short stacking energy: -23.392
Base-Backbone interact. energy: -0.265
local terms energy: -42.977979
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: 6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -223.113705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.113705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.113705 (E_RNA)
where:
Base-Base interactions energy: -146.396
where: short stacking energy: -64.730
Base-Backbone interact. energy: -0.029
local terms energy: -76.688519
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -223.306789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.306789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.306789 (E_RNA)
where:
Base-Base interactions energy: -136.901
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.494
local terms energy: -85.912551
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -213.010879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.010879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.010879 (E_RNA)
where:
Base-Base interactions energy: -141.702
where: short stacking energy: -68.577
Base-Backbone interact. energy: -0.035
local terms energy: -71.273822
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -190.103479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.103479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.103479 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -49.947
Base-Backbone interact. energy: -1.616
local terms energy: -68.612664
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -185.089999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.089999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.089999 (E_RNA)
where:
Base-Base interactions energy: -121.551
where: short stacking energy: -50.328
Base-Backbone interact. energy: -0.205
local terms energy: -63.334021
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -104.990815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.990815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.990815 (E_RNA)
where:
Base-Base interactions energy: -46.914
where: short stacking energy: -38.484
Base-Backbone interact. energy: -0.316
local terms energy: -57.761038
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -6.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -88.259139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.259139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.259139 (E_RNA)
where:
Base-Base interactions energy: -28.407
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.103
local terms energy: -59.749705
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -87.930007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.930007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.930007 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -35.081
Base-Backbone interact. energy: -0.454
local terms energy: -52.606376
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -77.961892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.961892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.961892 (E_RNA)
where:
Base-Base interactions energy: -24.722
where: short stacking energy: -23.041
Base-Backbone interact. energy: -0.122
local terms energy: -53.117907
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.096294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.096294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.096294 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.230
local terms energy: -51.836503
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -8.799
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -216.894245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.894245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.894245 (E_RNA)
where:
Base-Base interactions energy: -143.921
where: short stacking energy: -70.806
Base-Backbone interact. energy: -0.001
local terms energy: -72.972373
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -223.058676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.058676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.058676 (E_RNA)
where:
Base-Base interactions energy: -145.827
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.693
local terms energy: -76.538842
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -193.967050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.967050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.967050 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.020
local terms energy: -72.601644
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -195.177374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.177374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177374 (E_RNA)
where:
Base-Base interactions energy: -123.630
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.668
local terms energy: -70.880107
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -16.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -199.329075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.329075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.329075 (E_RNA)
where:
Base-Base interactions energy: -134.388
where: short stacking energy: -51.947
Base-Backbone interact. energy: -0.195
local terms energy: -64.746355
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -99.657593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.657593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.657593 (E_RNA)
where:
Base-Base interactions energy: -40.759
where: short stacking energy: -27.891
Base-Backbone interact. energy: -0.114
local terms energy: -58.784294
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -83.247063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.247063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.247063 (E_RNA)
where:
Base-Base interactions energy: -38.388
where: short stacking energy: -17.504
Base-Backbone interact. energy: -0.359
local terms energy: -44.500059
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: 3.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -85.224994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224994 (E_RNA)
where:
Base-Base interactions energy: -41.384
where: short stacking energy: -20.084
Base-Backbone interact. energy: -0.335
local terms energy: -43.506234
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: 2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -81.534297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.534297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.534297 (E_RNA)
where:
Base-Base interactions energy: -26.033
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.087
local terms energy: -55.414307
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -68.783143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.783143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.783143 (E_RNA)
where:
Base-Base interactions energy: -28.229
where: short stacking energy: -17.842
Base-Backbone interact. energy: -0.174
local terms energy: -40.379634
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -5.750
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: 3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -215.439009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.439009 (E_RNA)
where:
Base-Base interactions energy: -139.020
where: short stacking energy: -69.388
Base-Backbone interact. energy: -0.088
local terms energy: -76.330601
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -19.966
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: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -225.021360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.021360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.021360 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.013
local terms energy: -81.680459
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -207.548510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.548510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.548510 (E_RNA)
where:
Base-Base interactions energy: -131.666
where: short stacking energy: -64.377
Base-Backbone interact. energy: 0.146
local terms energy: -76.028577
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -20.291
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: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -203.386842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.386842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.386842 (E_RNA)
where:
Base-Base interactions energy: -134.426
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.003
local terms energy: -68.957105
where:
bonds (distance) C4'-P energy: -7.929
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -186.166407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.166407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.166407 (E_RNA)
where:
Base-Base interactions energy: -115.259
where: short stacking energy: -58.991
Base-Backbone interact. energy: -0.528
local terms energy: -70.379335
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -8.983
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: 324
Temperature: 1.150000
Total energy: -94.331969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.331969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.331969 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -27.134
Base-Backbone interact. energy: 0.367
local terms energy: -63.039245
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -0.310
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: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -80.923522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.923522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.923522 (E_RNA)
where:
Base-Base interactions energy: -31.204
where: short stacking energy: -26.457
Base-Backbone interact. energy: 0.753
local terms energy: -50.472186
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -75.469982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.469982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.469982 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -25.433
Base-Backbone interact. energy: -0.047
local terms energy: -43.012000
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -93.686151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686151 (E_RNA)
where:
Base-Base interactions energy: -50.261
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.326
local terms energy: -43.099576
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: 3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -74.593763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.593763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.593763 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -24.883
Base-Backbone interact. energy: -0.239
local terms energy: -44.964514
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -8.601
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -214.342538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.342538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.342538 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -66.054
Base-Backbone interact. energy: -1.086
local terms energy: -79.975954
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -14.005
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -215.537273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.537273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.537273 (E_RNA)
where:
Base-Base interactions energy: -142.127
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.683
local terms energy: -72.726943
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -212.947456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.947456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.947456 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.038
local terms energy: -75.106162
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -198.485319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.485319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.485319 (E_RNA)
where:
Base-Base interactions energy: -125.565
where: short stacking energy: -60.029
Base-Backbone interact. energy: -0.224
local terms energy: -72.696464
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -196.127077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.127077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.127077 (E_RNA)
where:
Base-Base interactions energy: -124.168
where: short stacking energy: -62.323
Base-Backbone interact. energy: -0.001
local terms energy: -71.958339
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -96.922601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.922601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.922601 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -37.094
Base-Backbone interact. energy: 0.678
local terms energy: -60.506049
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -92.867692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.867692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.867692 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -39.742
Base-Backbone interact. energy: 0.058
local terms energy: -53.183680
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -83.274300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.274300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.274300 (E_RNA)
where:
Base-Base interactions energy: -36.189
where: short stacking energy: -21.749
Base-Backbone interact. energy: -0.750
local terms energy: -46.335467
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -78.530736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.530736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.530736 (E_RNA)
where:
Base-Base interactions energy: -26.044
where: short stacking energy: -18.288
Base-Backbone interact. energy: -0.321
local terms energy: -52.165308
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: 0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -76.974263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.974263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.974263 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -31.087
Base-Backbone interact. energy: 1.131
local terms energy: -47.018321
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -9.371
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -213.870108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.870108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870108 (E_RNA)
where:
Base-Base interactions energy: -141.472
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.226
local terms energy: -72.171888
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -215.085318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.085318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085318 (E_RNA)
where:
Base-Base interactions energy: -133.923
where: short stacking energy: -66.882
Base-Backbone interact. energy: -0.097
local terms energy: -81.065119
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -214.142327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.142327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.142327 (E_RNA)
where:
Base-Base interactions energy: -133.547
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.016
local terms energy: -80.579378
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -12.113
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: 4, replica: 4
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -208.057941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.057941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.057941 (E_RNA)
where:
Base-Base interactions energy: -133.874
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.012
local terms energy: -74.172613
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -200.455875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.455875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.455875 (E_RNA)
where:
Base-Base interactions energy: -124.423
where: short stacking energy: -61.090
Base-Backbone interact. energy: -0.076
local terms energy: -75.957336
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -102.369462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.369462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.369462 (E_RNA)
where:
Base-Base interactions energy: -51.785
where: short stacking energy: -47.191
Base-Backbone interact. energy: 0.685
local terms energy: -51.269436
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -8.038
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -7.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -87.891319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.891319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.891319 (E_RNA)
where:
Base-Base interactions energy: -35.035
where: short stacking energy: -33.522
Base-Backbone interact. energy: -0.025
local terms energy: -52.831071
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -6.050
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: 8, replica: 7
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -89.453337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.453337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.453337 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.507
local terms energy: -55.477955
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -5.798
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: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -78.729281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.729281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.729281 (E_RNA)
where:
Base-Base interactions energy: -30.271
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.203
local terms energy: -48.255079
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -2.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -73.126977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.126977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.126977 (E_RNA)
where:
Base-Base interactions energy: -30.617
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.295
local terms energy: -42.214858
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -0.904
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -213.077148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.077148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.077148 (E_RNA)
where:
Base-Base interactions energy: -139.003
where: short stacking energy: -68.691
Base-Backbone interact. energy: -0.005
local terms energy: -74.069186
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -16.777
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -16.885
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: 327
Temperature: 0.950000
Total energy: -210.212049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.212049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212049 (E_RNA)
where:
Base-Base interactions energy: -135.692
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.107
local terms energy: -74.413534
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -21.087
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: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -216.764036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.764036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.764036 (E_RNA)
where:
Base-Base interactions energy: -138.769
where: short stacking energy: -72.361
Base-Backbone interact. energy: -0.314
local terms energy: -77.680607
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -17.749
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: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -196.175275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.175275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.175275 (E_RNA)
where:
Base-Base interactions energy: -123.017
where: short stacking energy: -57.338
Base-Backbone interact. energy: -0.233
local terms energy: -72.924757
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -180.514667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.514667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.514667 (E_RNA)
where:
Base-Base interactions energy: -114.757
where: short stacking energy: -48.791
Base-Backbone interact. energy: -0.103
local terms energy: -65.654636
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -12.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -100.039541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.039541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.039541 (E_RNA)
where:
Base-Base interactions energy: -43.554
where: short stacking energy: -38.855
Base-Backbone interact. energy: -0.243
local terms energy: -56.241915
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -5.343
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: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -97.601322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601322 (E_RNA)
where:
Base-Base interactions energy: -45.218
where: short stacking energy: -36.067
Base-Backbone interact. energy: -0.461
local terms energy: -51.923043
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -8.938
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: 7
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -91.619211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619211 (E_RNA)
where:
Base-Base interactions energy: -32.467
where: short stacking energy: -32.339
Base-Backbone interact. energy: -0.706
local terms energy: -58.445985
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.230
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: 8
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -80.896142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.896142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.896142 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -29.720
Base-Backbone interact. energy: -0.537
local terms energy: -50.638925
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -2.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -72.606537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.606537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.606537 (E_RNA)
where:
Base-Base interactions energy: -26.468
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.939
local terms energy: -45.199633
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: 3.180
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -212.270602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.270602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.270602 (E_RNA)
where:
Base-Base interactions energy: -135.757
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.093
local terms energy: -76.420711
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -19.791
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: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -216.193725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.193725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.193725 (E_RNA)
where:
Base-Base interactions energy: -138.853
where: short stacking energy: -74.447
Base-Backbone interact. energy: -0.003
local terms energy: -77.337839
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -200.958496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.958496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.958496 (E_RNA)
where:
Base-Base interactions energy: -132.333
where: short stacking energy: -63.972
Base-Backbone interact. energy: -0.005
local terms energy: -68.620552
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -8.825
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -19.829
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: 328
Temperature: 1.050000
Total energy: -193.502747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.502747 (E_RNA)
where:
Base-Base interactions energy: -123.702
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.113
local terms energy: -69.688060
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -198.747182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.747182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.747182 (E_RNA)
where:
Base-Base interactions energy: -127.815
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.001
local terms energy: -70.931008
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -93.001728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.001728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.001728 (E_RNA)
where:
Base-Base interactions energy: -38.722
where: short stacking energy: -28.329
Base-Backbone interact. energy: -0.167
local terms energy: -54.112550
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -3.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -85.331167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.331167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.331167 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -33.353
Base-Backbone interact. energy: -0.036
local terms energy: -51.942032
where:
bonds (distance) C4'-P energy: -10.315
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -6.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -89.783012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.783012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.783012 (E_RNA)
where:
Base-Base interactions energy: -50.388
where: short stacking energy: -26.957
Base-Backbone interact. energy: -0.155
local terms energy: -39.239946
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: 0.009
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: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -83.444893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.444893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.444893 (E_RNA)
where:
Base-Base interactions energy: -33.183
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.013
local terms energy: -50.249223
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -7.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -80.790199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.790199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.790199 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -29.849
Base-Backbone interact. energy: -0.549
local terms energy: -50.392270
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -213.358247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.358247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.358247 (E_RNA)
where:
Base-Base interactions energy: -132.496
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.078
local terms energy: -80.784226
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -214.665554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.665554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.665554 (E_RNA)
where:
Base-Base interactions energy: -135.357
where: short stacking energy: -71.749
Base-Backbone interact. energy: -0.022
local terms energy: -79.286930
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.348
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -23.743
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: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -202.886877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.886877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.886877 (E_RNA)
where:
Base-Base interactions energy: -134.254
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.759
local terms energy: -67.873800
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -7.446
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -194.756487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.756487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.756487 (E_RNA)
where:
Base-Base interactions energy: -119.203
where: short stacking energy: -49.189
Base-Backbone interact. energy: -0.212
local terms energy: -75.341388
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -198.069270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.069270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.069270 (E_RNA)
where:
Base-Base interactions energy: -123.891
where: short stacking energy: -59.567
Base-Backbone interact. energy: -0.317
local terms energy: -73.861167
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -101.295577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295577 (E_RNA)
where:
Base-Base interactions energy: -45.808
where: short stacking energy: -41.294
Base-Backbone interact. energy: -0.253
local terms energy: -55.233978
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -89.495149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.495149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.495149 (E_RNA)
where:
Base-Base interactions energy: -35.328
where: short stacking energy: -35.328
Base-Backbone interact. energy: 1.094
local terms energy: -55.261628
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -4.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -88.246615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.246615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.246615 (E_RNA)
where:
Base-Base interactions energy: -39.391
where: short stacking energy: -39.391
Base-Backbone interact. energy: -0.118
local terms energy: -48.737874
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -72.275963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.275963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.275963 (E_RNA)
where:
Base-Base interactions energy: -22.191
where: short stacking energy: -22.191
Base-Backbone interact. energy: -0.280
local terms energy: -49.804779
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -4.577
tors. eta vs tors. theta energy: -4.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -82.740129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740129 (E_RNA)
where:
Base-Base interactions energy: -41.194
where: short stacking energy: -26.586
Base-Backbone interact. energy: -0.142
local terms energy: -41.403932
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -5.198
flat angles P-C4'-P energy: -8.857
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -225.651771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.651771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.651771 (E_RNA)
where:
Base-Base interactions energy: -148.328
where: short stacking energy: -66.666
Base-Backbone interact. energy: -0.007
local terms energy: -77.316574
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -212.138474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.138474 (E_RNA)
where:
Base-Base interactions energy: -139.873
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.130
local terms energy: -72.135603
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -200.345145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.345145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.345145 (E_RNA)
where:
Base-Base interactions energy: -134.647
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.795
local terms energy: -64.903049
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -18.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -192.809527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.809527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.809527 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -55.863
Base-Backbone interact. energy: -0.217
local terms energy: -75.529373
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -200.253054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.253054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.253054 (E_RNA)
where:
Base-Base interactions energy: -129.448
where: short stacking energy: -67.707
Base-Backbone interact. energy: -0.047
local terms energy: -70.757778
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -6.504
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: 330
Temperature: 1.150000
Total energy: -121.766349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.766349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.766349 (E_RNA)
where:
Base-Base interactions energy: -73.475
where: short stacking energy: -34.384
Base-Backbone interact. energy: -0.242
local terms energy: -48.049886
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -85.062728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.062728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.062728 (E_RNA)
where:
Base-Base interactions energy: -38.349
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.081
local terms energy: -46.632699
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -86.418316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418316 (E_RNA)
where:
Base-Base interactions energy: -28.290
where: short stacking energy: -28.290
Base-Backbone interact. energy: -0.025
local terms energy: -58.103470
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -76.358053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.358053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.358053 (E_RNA)
where:
Base-Base interactions energy: -26.991
where: short stacking energy: -22.039
Base-Backbone interact. energy: -0.192
local terms energy: -49.174978
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -90.361912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.361912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.361912 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -36.554
Base-Backbone interact. energy: -1.030
local terms energy: -49.393081
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -5.435
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -230.947346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.947346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.947346 (E_RNA)
where:
Base-Base interactions energy: -152.056
where: short stacking energy: -74.816
Base-Backbone interact. energy: -1.493
local terms energy: -77.397784
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -222.242646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.242646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.242646 (E_RNA)
where:
Base-Base interactions energy: -146.874
where: short stacking energy: -68.841
Base-Backbone interact. energy: -1.385
local terms energy: -73.983282
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -18.695
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: 3, replica: 9
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -212.970695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.970695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.970695 (E_RNA)
where:
Base-Base interactions energy: -135.906
where: short stacking energy: -76.087
Base-Backbone interact. energy: -0.003
local terms energy: -77.061875
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -21.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -195.283337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.283337 (E_RNA)
where:
Base-Base interactions energy: -127.323
where: short stacking energy: -62.887
Base-Backbone interact. energy: 0.304
local terms energy: -68.263662
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -189.079271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.079271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.079271 (E_RNA)
where:
Base-Base interactions energy: -122.149
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.034
local terms energy: -66.896102
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -14.523
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: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -89.227759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.227759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.227759 (E_RNA)
where:
Base-Base interactions energy: -31.734
where: short stacking energy: -31.734
Base-Backbone interact. energy: -0.012
local terms energy: -57.482405
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -8.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -126.407591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.407591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.407591 (E_RNA)
where:
Base-Base interactions energy: -57.637
where: short stacking energy: -48.741
Base-Backbone interact. energy: 0.240
local terms energy: -69.010765
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -84.999672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.999672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.999672 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -34.937
Base-Backbone interact. energy: 0.092
local terms energy: -48.482312
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: 0.990
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -79.851245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.851245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.851245 (E_RNA)
where:
Base-Base interactions energy: -26.045
where: short stacking energy: -25.756
Base-Backbone interact. energy: 0.391
local terms energy: -54.197205
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -78.359495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.359495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.359495 (E_RNA)
where:
Base-Base interactions energy: -27.834
where: short stacking energy: -27.834
Base-Backbone interact. energy: -0.114
local terms energy: -50.411144
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -11.953
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -225.006346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.006346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.006346 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -69.772
Base-Backbone interact. energy: -0.230
local terms energy: -79.469996
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -216.000985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.000985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.000985 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.013
local terms energy: -81.928812
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -213.909239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.909239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.909239 (E_RNA)
where:
Base-Base interactions energy: -136.297
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.021
local terms energy: -77.591481
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -180.559967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.559967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559967 (E_RNA)
where:
Base-Base interactions energy: -114.954
where: short stacking energy: -55.128
Base-Backbone interact. energy: 0.138
local terms energy: -65.744365
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -14.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -198.427337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427337 (E_RNA)
where:
Base-Base interactions energy: -126.828
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.110
local terms energy: -71.489831
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -14.579
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: 3
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -100.246867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.246867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.246867 (E_RNA)
where:
Base-Base interactions energy: -46.998
where: short stacking energy: -24.467
Base-Backbone interact. energy: -0.089
local terms energy: -53.159923
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -9.261
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -127.800640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.800640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.800640 (E_RNA)
where:
Base-Base interactions energy: -74.131
where: short stacking energy: -42.492
Base-Backbone interact. energy: -1.392
local terms energy: -52.277718
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -8.847
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: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -77.143381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.143381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.143381 (E_RNA)
where:
Base-Base interactions energy: -22.288
where: short stacking energy: -22.143
Base-Backbone interact. energy: 0.062
local terms energy: -54.916971
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -83.244047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244047 (E_RNA)
where:
Base-Base interactions energy: -28.352
where: short stacking energy: -28.352
Base-Backbone interact. energy: -0.172
local terms energy: -54.720567
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -8.551
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: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -83.132997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.132997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.132997 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -29.014
Base-Backbone interact. energy: -0.112
local terms energy: -54.006876
where:
bonds (distance) C4'-P energy: -7.396
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -224.482631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.482631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.482631 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.054
local terms energy: -81.226036
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -22.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -221.927110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.927110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927110 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.158
local terms energy: -81.731730
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -12.390
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -215.819263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.819263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.819263 (E_RNA)
where:
Base-Base interactions energy: -135.951
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.058
local terms energy: -79.810384
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -23.075
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: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -189.436600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.436600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436600 (E_RNA)
where:
Base-Base interactions energy: -113.760
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.034
local terms energy: -75.642236
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -194.225845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.225845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.225845 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -59.887
Base-Backbone interact. energy: -0.009
local terms energy: -68.062848
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -141.035205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.035205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.035205 (E_RNA)
where:
Base-Base interactions energy: -86.998
where: short stacking energy: -39.659
Base-Backbone interact. energy: 4.001
local terms energy: -58.037648
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -138.314897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.314897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.314897 (E_RNA)
where:
Base-Base interactions energy: -84.139
where: short stacking energy: -34.480
Base-Backbone interact. energy: -1.100
local terms energy: -53.076009
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -10.553
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -6.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -91.247242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.247242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.247242 (E_RNA)
where:
Base-Base interactions energy: -36.940
where: short stacking energy: -24.990
Base-Backbone interact. energy: 0.542
local terms energy: -54.850157
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -89.555772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.555772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.555772 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -30.710
Base-Backbone interact. energy: -0.111
local terms energy: -48.253100
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -1.381
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: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -79.639594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.639594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.639594 (E_RNA)
where:
Base-Base interactions energy: -22.775
where: short stacking energy: -19.608
Base-Backbone interact. energy: -0.397
local terms energy: -56.467324
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -219.705772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.705772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.705772 (E_RNA)
where:
Base-Base interactions energy: -144.546
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.005
local terms energy: -75.154662
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -19.451
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -216.662564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.662564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.662564 (E_RNA)
where:
Base-Base interactions energy: -136.155
where: short stacking energy: -74.097
Base-Backbone interact. energy: 0.407
local terms energy: -80.913741
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -12.856
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: 3, replica: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -211.549375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.549375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.549375 (E_RNA)
where:
Base-Base interactions energy: -134.422
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.779
local terms energy: -76.348565
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.364
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: 4, replica: 4
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -203.250902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250902 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -68.847
Base-Backbone interact. energy: -0.001
local terms energy: -71.634829
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -21.844
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: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -184.933236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.933236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.933236 (E_RNA)
where:
Base-Base interactions energy: -120.619
where: short stacking energy: -60.860
Base-Backbone interact. energy: 0.869
local terms energy: -65.183045
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -160.601317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.601317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.601317 (E_RNA)
where:
Base-Base interactions energy: -94.321
where: short stacking energy: -47.754
Base-Backbone interact. energy: -0.210
local terms energy: -66.070532
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.050
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: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -93.500322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.500322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.500322 (E_RNA)
where:
Base-Base interactions energy: -36.885
where: short stacking energy: -36.885
Base-Backbone interact. energy: -0.099
local terms energy: -56.516183
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -5.890
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: 8, replica: 3
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -124.842311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.842311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.842311 (E_RNA)
where:
Base-Base interactions energy: -77.980
where: short stacking energy: -32.633
Base-Backbone interact. energy: -0.253
local terms energy: -46.609262
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -5.483
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -3.051
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: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -76.777926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.777926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.777926 (E_RNA)
where:
Base-Base interactions energy: -29.597
where: short stacking energy: -28.536
Base-Backbone interact. energy: -0.209
local terms energy: -46.971999
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -81.449237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449237 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -19.612
Base-Backbone interact. energy: -0.337
local terms energy: -46.853033
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -6.225
tors. eta vs tors. theta energy: 1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -228.342446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.342446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.342446 (E_RNA)
where:
Base-Base interactions energy: -144.238
where: short stacking energy: -73.240
Base-Backbone interact. energy: -0.006
local terms energy: -84.098586
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -227.848510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.848510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.848510 (E_RNA)
where:
Base-Base interactions energy: -150.169
where: short stacking energy: -66.399
Base-Backbone interact. energy: -1.019
local terms energy: -76.661205
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -9.102
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: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -201.427719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427719 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -64.460
Base-Backbone interact. energy: -0.009
local terms energy: -76.254863
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -185.618352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.618352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.618352 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -58.190
Base-Backbone interact. energy: -0.125
local terms energy: -61.451589
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -15.072
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: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -196.217354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.217354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.217354 (E_RNA)
where:
Base-Base interactions energy: -127.453
where: short stacking energy: -66.491
Base-Backbone interact. energy: -0.012
local terms energy: -68.752652
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -112.612140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.612140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.612140 (E_RNA)
where:
Base-Base interactions energy: -56.308
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.304
local terms energy: -55.999916
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -129.226240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.226240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.226240 (E_RNA)
where:
Base-Base interactions energy: -79.691
where: short stacking energy: -33.061
Base-Backbone interact. energy: 2.669
local terms energy: -52.204912
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -2.065
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: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -86.067741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.067741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.067741 (E_RNA)
where:
Base-Base interactions energy: -38.463
where: short stacking energy: -17.952
Base-Backbone interact. energy: -0.089
local terms energy: -47.515886
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: 5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -86.678091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.678091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.678091 (E_RNA)
where:
Base-Base interactions energy: -32.343
where: short stacking energy: -20.728
Base-Backbone interact. energy: -0.297
local terms energy: -54.037913
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -86.906262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.906262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.906262 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -29.040
Base-Backbone interact. energy: -0.233
local terms energy: -56.159270
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -226.271022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.271022 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.234
local terms energy: -75.571250
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -19.327
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -214.500364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.500364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.500364 (E_RNA)
where:
Base-Base interactions energy: -137.038
where: short stacking energy: -72.398
Base-Backbone interact. energy: -0.634
local terms energy: -76.829157
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -11.960
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: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -207.681854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.681854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.681854 (E_RNA)
where:
Base-Base interactions energy: -131.457
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.147
local terms energy: -76.077746
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -200.548435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.548435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.548435 (E_RNA)
where:
Base-Base interactions energy: -127.521
where: short stacking energy: -69.573
Base-Backbone interact. energy: -0.006
local terms energy: -73.021353
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.831
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: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -178.960314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.960314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960314 (E_RNA)
where:
Base-Base interactions energy: -115.781
where: short stacking energy: -49.512
Base-Backbone interact. energy: -0.411
local terms energy: -62.767378
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -115.913027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.913027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.913027 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.761
local terms energy: -61.483997
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -5.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -84.857410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.857410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.857410 (E_RNA)
where:
Base-Base interactions energy: -24.982
where: short stacking energy: -18.097
Base-Backbone interact. energy: -0.237
local terms energy: -59.638533
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -181.636974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.636974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.636974 (E_RNA)
where:
Base-Base interactions energy: -118.871
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.106
local terms energy: -62.659712
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -3.388
tors. eta vs tors. theta energy: -16.257
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: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -77.366995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.366995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.366995 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -29.819
Base-Backbone interact. energy: -0.168
local terms energy: -42.376419
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -2.817
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -72.238838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.238838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.238838 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -22.391
Base-Backbone interact. energy: -0.396
local terms energy: -43.055424
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: 0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -218.893518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.893518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.893518 (E_RNA)
where:
Base-Base interactions energy: -142.985
where: short stacking energy: -66.707
Base-Backbone interact. energy: -0.033
local terms energy: -75.876342
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.990
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: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -220.277603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.277603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.277603 (E_RNA)
where:
Base-Base interactions energy: -149.885
where: short stacking energy: -77.966
Base-Backbone interact. energy: -0.015
local terms energy: -70.377286
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -21.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -213.125562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.125562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.125562 (E_RNA)
where:
Base-Base interactions energy: -139.285
where: short stacking energy: -72.803
Base-Backbone interact. energy: -0.015
local terms energy: -73.824735
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -23.135
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -218.510234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.510234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.510234 (E_RNA)
where:
Base-Base interactions energy: -143.971
where: short stacking energy: -74.168
Base-Backbone interact. energy: -0.027
local terms energy: -74.512239
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -21.582
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: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -189.122664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.122664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.122664 (E_RNA)
where:
Base-Base interactions energy: -124.401
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.624
local terms energy: -64.098557
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -91.185015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.185015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.185015 (E_RNA)
where:
Base-Base interactions energy: -34.574
where: short stacking energy: -33.885
Base-Backbone interact. energy: -0.063
local terms energy: -56.548656
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -80.887169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.887169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.887169 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -18.819
Base-Backbone interact. energy: -0.203
local terms energy: -49.556624
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: 2.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -82.321210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.321210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.321210 (E_RNA)
where:
Base-Base interactions energy: -32.345
where: short stacking energy: -16.118
Base-Backbone interact. energy: -0.089
local terms energy: -49.887671
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: 0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -167.618829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.618829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.618829 (E_RNA)
where:
Base-Base interactions energy: -106.761
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.171
local terms energy: -60.686010
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -72.385303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.385303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.385303 (E_RNA)
where:
Base-Base interactions energy: -23.264
where: short stacking energy: -23.264
Base-Backbone interact. energy: -0.450
local terms energy: -48.671807
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -8.598
flat angles P-C4'-P energy: -10.682
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -216.922860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.922860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.922860 (E_RNA)
where:
Base-Base interactions energy: -134.820
where: short stacking energy: -67.347
Base-Backbone interact. energy: -0.017
local terms energy: -82.085828
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -213.013610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.013610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.013610 (E_RNA)
where:
Base-Base interactions energy: -138.774
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.450
local terms energy: -73.789910
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -20.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -217.216608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.216608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.216608 (E_RNA)
where:
Base-Base interactions energy: -139.583
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.045
local terms energy: -77.588035
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -22.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -201.688572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.688572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.688572 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -68.371
Base-Backbone interact. energy: -0.392
local terms energy: -68.408991
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -9.745
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: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -184.813437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.813437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.813437 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -56.730
Base-Backbone interact. energy: -0.276
local terms energy: -66.913486
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -90.025072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.025072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.025072 (E_RNA)
where:
Base-Base interactions energy: -33.895
where: short stacking energy: -26.340
Base-Backbone interact. energy: -0.158
local terms energy: -55.972237
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -12.893
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: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.078853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.078853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.078853 (E_RNA)
where:
Base-Base interactions energy: -53.300
where: short stacking energy: -30.473
Base-Backbone interact. energy: 1.445
local terms energy: -37.224020
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -4.325
tors. eta vs tors. theta energy: -3.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -81.332871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.332871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.332871 (E_RNA)
where:
Base-Base interactions energy: -31.565
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.112
local terms energy: -49.655476
where:
bonds (distance) C4'-P energy: -9.636
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -129.442963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.442963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.442963 (E_RNA)
where:
Base-Base interactions energy: -73.054
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.115
local terms energy: -56.274209
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -12.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -76.360545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.360545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.360545 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -19.905
Base-Backbone interact. energy: -0.168
local terms energy: -52.857992
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -0.379
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -221.975293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.975293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.975293 (E_RNA)
where:
Base-Base interactions energy: -139.495
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.577
local terms energy: -81.902952
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: -21.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -207.459829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.459829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.459829 (E_RNA)
where:
Base-Base interactions energy: -132.822
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.035
local terms energy: -74.602725
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -18.513
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: 3, replica: 2
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -194.322769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.322769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.322769 (E_RNA)
where:
Base-Base interactions energy: -122.283
where: short stacking energy: -66.046
Base-Backbone interact. energy: -0.004
local terms energy: -72.035117
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -13.853
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: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -184.410603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.410603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.410603 (E_RNA)
where:
Base-Base interactions energy: -117.511
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.037
local terms energy: -66.862434
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -178.793601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.793601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.793601 (E_RNA)
where:
Base-Base interactions energy: -117.705
where: short stacking energy: -52.503
Base-Backbone interact. energy: -0.227
local terms energy: -60.861803
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -103.647341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.647341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.647341 (E_RNA)
where:
Base-Base interactions energy: -43.515
where: short stacking energy: -39.172
Base-Backbone interact. energy: -0.018
local terms energy: -60.115110
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -10.748
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: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -90.631489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.631489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.631489 (E_RNA)
where:
Base-Base interactions energy: -41.996
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.013
local terms energy: -48.621821
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -118.731763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.731763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.731763 (E_RNA)
where:
Base-Base interactions energy: -65.698
where: short stacking energy: -30.443
Base-Backbone interact. energy: -1.461
local terms energy: -51.573010
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -10.934
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.589559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.589559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.589559 (E_RNA)
where:
Base-Base interactions energy: -37.346
where: short stacking energy: -25.412
Base-Backbone interact. energy: -0.176
local terms energy: -43.068393
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: 0.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -78.197126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.197126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.197126 (E_RNA)
where:
Base-Base interactions energy: -29.183
where: short stacking energy: -24.193
Base-Backbone interact. energy: -0.436
local terms energy: -48.578640
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -3.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -221.890349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.890349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.890349 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -69.223
Base-Backbone interact. energy: -0.628
local terms energy: -86.782810
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -222.459909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.459909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.459909 (E_RNA)
where:
Base-Base interactions energy: -140.840
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.054
local terms energy: -81.565446
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -189.297740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.297740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.297740 (E_RNA)
where:
Base-Base interactions energy: -121.905
where: short stacking energy: -55.802
Base-Backbone interact. energy: -0.076
local terms energy: -67.316835
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -212.275738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.275738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.275738 (E_RNA)
where:
Base-Base interactions energy: -134.492
where: short stacking energy: -71.494
Base-Backbone interact. energy: -0.106
local terms energy: -77.677970
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -196.087408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.087408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.087408 (E_RNA)
where:
Base-Base interactions energy: -120.453
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.032
local terms energy: -75.603072
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -85.666242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.666242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.666242 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -34.219
Base-Backbone interact. energy: -0.151
local terms energy: -50.932906
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -8.833
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -121.379928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.379928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.379928 (E_RNA)
where:
Base-Base interactions energy: -59.498
where: short stacking energy: -39.862
Base-Backbone interact. energy: -0.803
local terms energy: -61.079166
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -83.156970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.156970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.156970 (E_RNA)
where:
Base-Base interactions energy: -29.464
where: short stacking energy: -27.424
Base-Backbone interact. energy: -0.205
local terms energy: -53.487706
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.495
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -102.278954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.278954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.278954 (E_RNA)
where:
Base-Base interactions energy: -53.298
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.089
local terms energy: -48.891751
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -2.950
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -77.429027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.429027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.429027 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -21.610
Base-Backbone interact. energy: 0.211
local terms energy: -43.242628
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -5.066
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 0.446
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -220.287834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.287834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.287834 (E_RNA)
where:
Base-Base interactions energy: -138.592
where: short stacking energy: -77.589
Base-Backbone interact. energy: -0.028
local terms energy: -81.667641
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -24.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -219.305791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.305791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.305791 (E_RNA)
where:
Base-Base interactions energy: -142.729
where: short stacking energy: -71.279
Base-Backbone interact. energy: -0.022
local terms energy: -76.554661
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -182.894938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.894938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.894938 (E_RNA)
where:
Base-Base interactions energy: -110.583
where: short stacking energy: -60.590
Base-Backbone interact. energy: -0.009
local terms energy: -72.303210
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.707
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: 9
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -206.273317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.273317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.273317 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -65.384
Base-Backbone interact. energy: -0.005
local terms energy: -76.392996
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -13.329
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: 5, replica: 2
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -208.105662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.105662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.105662 (E_RNA)
where:
Base-Base interactions energy: -133.357
where: short stacking energy: -63.691
Base-Backbone interact. energy: -0.090
local terms energy: -74.657790
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -19.798
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: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -104.077070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.077070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.077070 (E_RNA)
where:
Base-Base interactions energy: -56.037
where: short stacking energy: -33.082
Base-Backbone interact. energy: 0.478
local terms energy: -48.518738
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -9.601
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -4.737
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: 341
Temperature: 1.200000
Total energy: -85.355759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.355759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.355759 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -29.436
Base-Backbone interact. energy: -0.207
local terms energy: -54.278648
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -1.221
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: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -94.435346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.435346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.435346 (E_RNA)
where:
Base-Base interactions energy: -53.804
where: short stacking energy: -33.812
Base-Backbone interact. energy: -0.146
local terms energy: -40.485298
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -83.219189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.219189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.219189 (E_RNA)
where:
Base-Base interactions energy: -34.737
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.239
local terms energy: -48.242390
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -9.305
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -79.520034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.520034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.520034 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -22.566
Base-Backbone interact. energy: -0.134
local terms energy: -51.834146
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -222.708739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.708739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.708739 (E_RNA)
where:
Base-Base interactions energy: -147.567
where: short stacking energy: -64.239
Base-Backbone interact. energy: 0.845
local terms energy: -75.986513
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -212.405931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.405931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.405931 (E_RNA)
where:
Base-Base interactions energy: -132.009
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.578
local terms energy: -79.818816
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -10.862
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: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -204.568605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.568605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.568605 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -67.948
Base-Backbone interact. energy: -0.014
local terms energy: -70.025180
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -200.239770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.239770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.239770 (E_RNA)
where:
Base-Base interactions energy: -126.654
where: short stacking energy: -67.071
Base-Backbone interact. energy: -0.001
local terms energy: -73.584608
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -203.987808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.987808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.987808 (E_RNA)
where:
Base-Base interactions energy: -132.845
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.048
local terms energy: -71.094416
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.229
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: 342
Temperature: 1.150000
Total energy: -102.611501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.611501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.611501 (E_RNA)
where:
Base-Base interactions energy: -50.455
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.465
local terms energy: -51.692131
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -1.570
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: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -74.327348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.327348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.327348 (E_RNA)
where:
Base-Base interactions energy: -23.685
where: short stacking energy: -17.709
Base-Backbone interact. energy: -0.243
local terms energy: -50.399304
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -79.635798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.635798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.635798 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -16.063
Base-Backbone interact. energy: -0.388
local terms energy: -43.167751
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -3.412
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: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -84.233386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.233386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.233386 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.017
local terms energy: -47.225083
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -6.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -86.282820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.282820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.282820 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -25.823
Base-Backbone interact. energy: -0.201
local terms energy: -58.078169
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -9.871
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -221.996371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.996371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.996371 (E_RNA)
where:
Base-Base interactions energy: -147.274
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.129
local terms energy: -74.593467
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -225.197440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.197440 (E_RNA)
where:
Base-Base interactions energy: -141.434
where: short stacking energy: -71.850
Base-Backbone interact. energy: -0.528
local terms energy: -83.235710
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.940
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -212.451725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.451725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.451725 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -69.110
Base-Backbone interact. energy: -0.073
local terms energy: -75.323402
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -18.965
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: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -198.649908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.649908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.649908 (E_RNA)
where:
Base-Base interactions energy: -126.498
where: short stacking energy: -58.819
Base-Backbone interact. energy: -0.431
local terms energy: -71.721442
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -187.733520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.733520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.733520 (E_RNA)
where:
Base-Base interactions energy: -124.851
where: short stacking energy: -60.751
Base-Backbone interact. energy: 0.869
local terms energy: -63.752112
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -16.508
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: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -90.695481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.695481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.695481 (E_RNA)
where:
Base-Base interactions energy: -36.244
where: short stacking energy: -30.658
Base-Backbone interact. energy: -0.394
local terms energy: -54.057883
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -88.829975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.829975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.829975 (E_RNA)
where:
Base-Base interactions energy: -38.161
where: short stacking energy: -26.008
Base-Backbone interact. energy: 1.146
local terms energy: -51.814711
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -5.780
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: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -94.979585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.979585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.979585 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -43.168
Base-Backbone interact. energy: -0.016
local terms energy: -44.248501
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -11.286
flat angles C4'-P-C4' energy: -7.765
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -82.842409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.842409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.842409 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -22.590
Base-Backbone interact. energy: 1.623
local terms energy: -46.433773
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -5.206
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -82.806181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.806181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.806181 (E_RNA)
where:
Base-Base interactions energy: -34.909
where: short stacking energy: -33.827
Base-Backbone interact. energy: -0.004
local terms energy: -47.893496
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -6.901
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)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -215.019808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.019808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.019808 (E_RNA)
where:
Base-Base interactions energy: -137.389
where: short stacking energy: -65.299
Base-Backbone interact. energy: -0.383
local terms energy: -77.247651
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -16.462
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: 344
Temperature: 0.950000
Total energy: -208.738637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.738637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.738637 (E_RNA)
where:
Base-Base interactions energy: -133.316
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.352
local terms energy: -75.070533
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -216.110268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.110268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.110268 (E_RNA)
where:
Base-Base interactions energy: -135.875
where: short stacking energy: -66.571
Base-Backbone interact. energy: -0.037
local terms energy: -80.198697
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -20.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -180.999473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.999473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.999473 (E_RNA)
where:
Base-Base interactions energy: -109.962
where: short stacking energy: -65.929
Base-Backbone interact. energy: -0.002
local terms energy: -71.035303
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -13.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -193.357857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.357857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.357857 (E_RNA)
where:
Base-Base interactions energy: -123.612
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.050
local terms energy: -69.696306
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -90.357067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.357067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.357067 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -27.222
Base-Backbone interact. energy: -1.232
local terms energy: -53.505184
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.962
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: 7, replica: 7
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -83.551658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551658 (E_RNA)
where:
Base-Base interactions energy: -26.886
where: short stacking energy: -20.929
Base-Backbone interact. energy: -1.525
local terms energy: -55.139905
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -9.209
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: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -87.579129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.579129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.579129 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -33.942
Base-Backbone interact. energy: -0.725
local terms energy: -51.045451
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -78.207367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.207367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.207367 (E_RNA)
where:
Base-Base interactions energy: -31.456
where: short stacking energy: -31.456
Base-Backbone interact. energy: -0.038
local terms energy: -46.713530
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -9.090
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -72.576119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.576119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.576119 (E_RNA)
where:
Base-Base interactions energy: -27.504
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.126
local terms energy: -44.945766
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -223.840114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.840114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.840114 (E_RNA)
where:
Base-Base interactions energy: -144.959
where: short stacking energy: -76.918
Base-Backbone interact. energy: -1.022
local terms energy: -77.858231
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -218.653218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.653218 (E_RNA)
where:
Base-Base interactions energy: -139.592
where: short stacking energy: -71.493
Base-Backbone interact. energy: -0.410
local terms energy: -78.650770
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -13.025
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: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -214.195320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.195320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.195320 (E_RNA)
where:
Base-Base interactions energy: -140.769
where: short stacking energy: -70.562
Base-Backbone interact. energy: -0.030
local terms energy: -73.395745
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -192.975991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975991 (E_RNA)
where:
Base-Base interactions energy: -121.655
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.095
local terms energy: -71.226047
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -17.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -177.855285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.855285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.855285 (E_RNA)
where:
Base-Base interactions energy: -116.591
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.179
local terms energy: -61.084980
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -6.808
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -11.667
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -88.305811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305811 (E_RNA)
where:
Base-Base interactions energy: -30.108
where: short stacking energy: -23.924
Base-Backbone interact. energy: -0.628
local terms energy: -57.570335
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -13.808
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: 7, replica: 8
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -117.557628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.557628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.557628 (E_RNA)
where:
Base-Base interactions energy: -60.271
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.251
local terms energy: -57.036026
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -10.871
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -88.733137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.733137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.733137 (E_RNA)
where:
Base-Base interactions energy: -46.148
where: short stacking energy: -22.660
Base-Backbone interact. energy: -0.323
local terms energy: -42.262054
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -5.582
tors. eta vs tors. theta energy: 2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -74.011950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.011950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.011950 (E_RNA)
where:
Base-Base interactions energy: -22.937
where: short stacking energy: -22.937
Base-Backbone interact. energy: 0.057
local terms energy: -51.132039
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -77.248564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.248564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.248564 (E_RNA)
where:
Base-Base interactions energy: -33.445
where: short stacking energy: -26.419
Base-Backbone interact. energy: -0.125
local terms energy: -43.678340
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -7.332
flat angles P-C4'-P energy: -7.588
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -226.854659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.854659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.854659 (E_RNA)
where:
Base-Base interactions energy: -144.424
where: short stacking energy: -71.491
Base-Backbone interact. energy: -0.030
local terms energy: -82.400945
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -21.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -200.377776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.377776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.377776 (E_RNA)
where:
Base-Base interactions energy: -132.167
where: short stacking energy: -68.487
Base-Backbone interact. energy: -0.000
local terms energy: -68.211031
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -215.955739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.955739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.955739 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.341
local terms energy: -77.990204
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -13.313
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: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -210.726979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.726979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.726979 (E_RNA)
where:
Base-Base interactions energy: -130.501
where: short stacking energy: -62.876
Base-Backbone interact. energy: -0.395
local terms energy: -79.830839
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.804
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: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -179.737849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.737849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.737849 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.063
local terms energy: -61.865645
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -97.350324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350324 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -20.982
Base-Backbone interact. energy: -0.417
local terms energy: -53.209458
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -127.035522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.035522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.035522 (E_RNA)
where:
Base-Base interactions energy: -62.891
where: short stacking energy: -40.657
Base-Backbone interact. energy: -0.604
local terms energy: -63.540224
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -10.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -91.882999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.882999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.882999 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -21.887
Base-Backbone interact. energy: -0.825
local terms energy: -57.765007
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.245
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: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -85.392510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392510 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -17.586
Base-Backbone interact. energy: 1.502
local terms energy: -44.808909
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -5.156
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -1.190
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: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -74.968716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.968716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.968716 (E_RNA)
where:
Base-Base interactions energy: -27.057
where: short stacking energy: -13.797
Base-Backbone interact. energy: -0.277
local terms energy: -47.634836
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -221.907518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.907518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.907518 (E_RNA)
where:
Base-Base interactions energy: -140.635
where: short stacking energy: -71.578
Base-Backbone interact. energy: -1.169
local terms energy: -80.103244
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -209.185498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.185498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.185498 (E_RNA)
where:
Base-Base interactions energy: -130.768
where: short stacking energy: -68.937
Base-Backbone interact. energy: 0.423
local terms energy: -78.840333
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -21.409
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: 5
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -210.413090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.413090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.413090 (E_RNA)
where:
Base-Base interactions energy: -135.731
where: short stacking energy: -73.683
Base-Backbone interact. energy: -0.002
local terms energy: -74.679439
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -204.788457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.788457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.788457 (E_RNA)
where:
Base-Base interactions energy: -136.631
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.240
local terms energy: -67.917320
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -198.077111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.077111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.077111 (E_RNA)
where:
Base-Base interactions energy: -135.284
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.217
local terms energy: -62.575742
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -94.949765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.949765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.949765 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -44.405
Base-Backbone interact. energy: -0.312
local terms energy: -45.148642
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -4.566
tors. eta vs tors. theta energy: -9.405
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -86.590262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590262 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -23.624
Base-Backbone interact. energy: 0.822
local terms energy: -48.747602
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -9.686
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -4.273
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -82.736008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.736008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.736008 (E_RNA)
where:
Base-Base interactions energy: -34.023
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.787
local terms energy: -47.926494
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -2.057
tors. eta vs tors. theta energy: -2.314
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: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -87.397794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.397794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.397794 (E_RNA)
where:
Base-Base interactions energy: -31.847
where: short stacking energy: -31.847
Base-Backbone interact. energy: -0.120
local terms energy: -55.430611
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -75.592253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.592253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.592253 (E_RNA)
where:
Base-Base interactions energy: -35.759
where: short stacking energy: -13.126
Base-Backbone interact. energy: 1.336
local terms energy: -41.168625
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: 2.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -226.521956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.521956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.521956 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.163
local terms energy: -73.072205
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -220.541152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.541152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.541152 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -77.220
Base-Backbone interact. energy: -0.295
local terms energy: -74.066900
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -217.632006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.632006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.632006 (E_RNA)
where:
Base-Base interactions energy: -135.459
where: short stacking energy: -64.263
Base-Backbone interact. energy: -0.000
local terms energy: -82.172373
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -20.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -195.693867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.693867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.693867 (E_RNA)
where:
Base-Base interactions energy: -123.962
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.004
local terms energy: -71.728212
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -193.491926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.491926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.491926 (E_RNA)
where:
Base-Base interactions energy: -119.178
where: short stacking energy: -63.153
Base-Backbone interact. energy: -0.009
local terms energy: -74.304633
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -98.083030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.083030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.083030 (E_RNA)
where:
Base-Base interactions energy: -40.936
where: short stacking energy: -32.745
Base-Backbone interact. energy: -0.034
local terms energy: -57.113339
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -3.892
tors. eta vs tors. theta energy: -11.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -94.261876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.261876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.261876 (E_RNA)
where:
Base-Base interactions energy: -51.612
where: short stacking energy: -34.715
Base-Backbone interact. energy: -1.052
local terms energy: -41.598416
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -0.792
tors. eta vs tors. theta energy: -6.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -88.916146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916146 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -32.919
Base-Backbone interact. energy: -0.333
local terms energy: -55.391694
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -88.493705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.493705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.493705 (E_RNA)
where:
Base-Base interactions energy: -40.559
where: short stacking energy: -21.404
Base-Backbone interact. energy: -0.210
local terms energy: -47.724631
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -76.075346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.075346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.075346 (E_RNA)
where:
Base-Base interactions energy: -27.466
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.119
local terms energy: -48.490097
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -6.416
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -220.906970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.906970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.906970 (E_RNA)
where:
Base-Base interactions energy: -140.931
where: short stacking energy: -71.602
Base-Backbone interact. energy: 0.231
local terms energy: -80.207694
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -18.635
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: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -219.833498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.833498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.833498 (E_RNA)
where:
Base-Base interactions energy: -140.826
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.023
local terms energy: -78.984811
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -22.776
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -196.963521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.963521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.963521 (E_RNA)
where:
Base-Base interactions energy: -125.340
where: short stacking energy: -64.631
Base-Backbone interact. energy: -0.001
local terms energy: -71.623099
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -191.003713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.003713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.003713 (E_RNA)
where:
Base-Base interactions energy: -119.187
where: short stacking energy: -52.713
Base-Backbone interact. energy: -0.082
local terms energy: -71.735624
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -174.981918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.981918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.981918 (E_RNA)
where:
Base-Base interactions energy: -117.505
where: short stacking energy: -55.962
Base-Backbone interact. energy: -0.100
local terms energy: -57.377572
where:
bonds (distance) C4'-P energy: -9.483
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -105.051803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.051803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.051803 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -42.199
Base-Backbone interact. energy: -0.095
local terms energy: -60.414950
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -6.515
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: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -91.147052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147052 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -30.557
Base-Backbone interact. energy: -0.142
local terms energy: -55.546499
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -106.472890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.472890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.472890 (E_RNA)
where:
Base-Base interactions energy: -52.660
where: short stacking energy: -28.657
Base-Backbone interact. energy: 0.277
local terms energy: -54.090050
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -2.914
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: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -84.644794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.644794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.644794 (E_RNA)
where:
Base-Base interactions energy: -38.538
where: short stacking energy: -17.344
Base-Backbone interact. energy: -0.298
local terms energy: -45.808934
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -3.986
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -78.376101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376101 (E_RNA)
where:
Base-Base interactions energy: -29.314
where: short stacking energy: -26.781
Base-Backbone interact. energy: 0.734
local terms energy: -49.796473
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -206.305429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.305429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.305429 (E_RNA)
where:
Base-Base interactions energy: -134.059
where: short stacking energy: -61.625
Base-Backbone interact. energy: 1.210
local terms energy: -73.455659
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -11.243
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -19.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -214.529257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.529257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.529257 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.312
local terms energy: -77.320786
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -197.104517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104517 (E_RNA)
where:
Base-Base interactions energy: -123.250
where: short stacking energy: -59.790
Base-Backbone interact. energy: -0.402
local terms energy: -73.452306
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -8.380
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: 4, replica: 4
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -203.678721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.678721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.678721 (E_RNA)
where:
Base-Base interactions energy: -132.033
where: short stacking energy: -64.943
Base-Backbone interact. energy: -0.024
local terms energy: -71.622501
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -204.152273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.152273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.152273 (E_RNA)
where:
Base-Base interactions energy: -131.226
where: short stacking energy: -63.758
Base-Backbone interact. energy: 0.082
local terms energy: -73.008129
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.856
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -106.312657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.312657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.312657 (E_RNA)
where:
Base-Base interactions energy: -52.469
where: short stacking energy: -25.450
Base-Backbone interact. energy: -0.016
local terms energy: -53.828405
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -3.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -95.749905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.749905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.749905 (E_RNA)
where:
Base-Base interactions energy: -36.914
where: short stacking energy: -22.690
Base-Backbone interact. energy: 0.371
local terms energy: -59.207431
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -97.206567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206567 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -35.938
Base-Backbone interact. energy: -0.061
local terms energy: -61.207865
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -11.012
tors. eta vs tors. theta energy: -7.672
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: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -81.146242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.146242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.146242 (E_RNA)
where:
Base-Base interactions energy: -25.112
where: short stacking energy: -25.112
Base-Backbone interact. energy: -0.122
local terms energy: -55.911734
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.780
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -78.749724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749724 (E_RNA)
where:
Base-Base interactions energy: -30.649
where: short stacking energy: -21.551
Base-Backbone interact. energy: -0.074
local terms energy: -48.026297
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -3.537
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -210.541568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.541568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.541568 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -63.928
Base-Backbone interact. energy: -1.467
local terms energy: -71.981123
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -218.546671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.546671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.546671 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -72.846
Base-Backbone interact. energy: -0.087
local terms energy: -81.589292
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -22.955
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: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -198.445000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.445000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.445000 (E_RNA)
where:
Base-Base interactions energy: -132.212
where: short stacking energy: -60.841
Base-Backbone interact. energy: -1.217
local terms energy: -65.016519
where:
bonds (distance) C4'-P energy: -7.244
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -207.630598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.630598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.630598 (E_RNA)
where:
Base-Base interactions energy: -134.033
where: short stacking energy: -67.746
Base-Backbone interact. energy: 0.422
local terms energy: -74.019588
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -182.970903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.970903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.970903 (E_RNA)
where:
Base-Base interactions energy: -115.216
where: short stacking energy: -60.190
Base-Backbone interact. energy: -0.523
local terms energy: -67.232247
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -106.092803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.092803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.092803 (E_RNA)
where:
Base-Base interactions energy: -50.453
where: short stacking energy: -35.185
Base-Backbone interact. energy: 0.103
local terms energy: -55.742264
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -84.791006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.791006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.791006 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -29.403
Base-Backbone interact. energy: -0.244
local terms energy: -55.144247
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -88.513869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.513869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.513869 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -27.718
Base-Backbone interact. energy: -0.007
local terms energy: -55.579938
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -78.206119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.206119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.206119 (E_RNA)
where:
Base-Base interactions energy: -31.623
where: short stacking energy: -27.465
Base-Backbone interact. energy: -1.227
local terms energy: -45.356475
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.661
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -1.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -73.616838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.616838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.616838 (E_RNA)
where:
Base-Base interactions energy: -31.998
where: short stacking energy: -31.998
Base-Backbone interact. energy: -0.042
local terms energy: -41.576707
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -0.951
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -224.642411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.642411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.642411 (E_RNA)
where:
Base-Base interactions energy: -142.091
where: short stacking energy: -75.817
Base-Backbone interact. energy: -0.012
local terms energy: -82.539598
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -218.946896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.946896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.946896 (E_RNA)
where:
Base-Base interactions energy: -139.390
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.106
local terms energy: -79.450589
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -220.640703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.640703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.640703 (E_RNA)
where:
Base-Base interactions energy: -143.768
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.665
local terms energy: -76.207341
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -23.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -211.990549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990549 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -66.707
Base-Backbone interact. energy: -0.062
local terms energy: -79.820458
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -188.280008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.280008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.280008 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.006
local terms energy: -63.453925
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -16.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -89.521275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.521275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.521275 (E_RNA)
where:
Base-Base interactions energy: -33.874
where: short stacking energy: -30.480
Base-Backbone interact. energy: -0.044
local terms energy: -55.603081
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -5.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -90.279494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.279494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.279494 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.450
local terms energy: -48.784564
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -12.246
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -2.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -86.889779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.889779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.889779 (E_RNA)
where:
Base-Base interactions energy: -41.552
where: short stacking energy: -17.095
Base-Backbone interact. energy: -0.622
local terms energy: -44.715519
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -90.359037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.359037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.359037 (E_RNA)
where:
Base-Base interactions energy: -33.713
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.043
local terms energy: -56.603203
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -76.135134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.135134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.135134 (E_RNA)
where:
Base-Base interactions energy: -33.141
where: short stacking energy: -28.062
Base-Backbone interact. energy: -0.405
local terms energy: -42.588848
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -231.276664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.276664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.276664 (E_RNA)
where:
Base-Base interactions energy: -153.273
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.271
local terms energy: -77.733352
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -22.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -211.999609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.999609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.999609 (E_RNA)
where:
Base-Base interactions energy: -137.733
where: short stacking energy: -67.788
Base-Backbone interact. energy: -0.124
local terms energy: -74.141960
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -206.686474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.686474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.686474 (E_RNA)
where:
Base-Base interactions energy: -131.237
where: short stacking energy: -67.079
Base-Backbone interact. energy: -0.082
local terms energy: -75.367422
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -19.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -184.378787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.378787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.378787 (E_RNA)
where:
Base-Base interactions energy: -113.395
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.002
local terms energy: -70.982408
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -197.521090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.521090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.521090 (E_RNA)
where:
Base-Base interactions energy: -124.212
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.169
local terms energy: -73.140166
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -117.377607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.377607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.377607 (E_RNA)
where:
Base-Base interactions energy: -60.711
where: short stacking energy: -37.367
Base-Backbone interact. energy: 0.329
local terms energy: -56.995571
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.195
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -83.459147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459147 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -26.705
Base-Backbone interact. energy: 1.243
local terms energy: -48.937487
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -91.055711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.055711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.055711 (E_RNA)
where:
Base-Base interactions energy: -44.418
where: short stacking energy: -27.348
Base-Backbone interact. energy: -0.325
local terms energy: -46.312691
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -1.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -87.823814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.823814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.823814 (E_RNA)
where:
Base-Base interactions energy: -38.995
where: short stacking energy: -38.995
Base-Backbone interact. energy: -0.026
local terms energy: -48.802003
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -87.611213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.611213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.611213 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.837
local terms energy: -54.104875
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -7.974
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -219.139090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.139090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.139090 (E_RNA)
where:
Base-Base interactions energy: -139.367
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.009
local terms energy: -79.762516
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -20.112
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: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -216.795416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.795416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.795416 (E_RNA)
where:
Base-Base interactions energy: -141.145
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.021
local terms energy: -75.628696
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -21.402
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: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -205.544412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.544412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.544412 (E_RNA)
where:
Base-Base interactions energy: -130.839
where: short stacking energy: -67.548
Base-Backbone interact. energy: -1.139
local terms energy: -73.565890
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -19.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -210.490376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.490376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490376 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.074
local terms energy: -67.545757
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -206.003575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.003575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.003575 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -65.529
Base-Backbone interact. energy: -0.620
local terms energy: -72.271013
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -97.736516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.736516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.736516 (E_RNA)
where:
Base-Base interactions energy: -42.389
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.192
local terms energy: -55.155672
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -92.889807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889807 (E_RNA)
where:
Base-Base interactions energy: -39.580
where: short stacking energy: -30.202
Base-Backbone interact. energy: -0.030
local terms energy: -53.279323
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -86.796256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.796256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.796256 (E_RNA)
where:
Base-Base interactions energy: -35.679
where: short stacking energy: -21.183
Base-Backbone interact. energy: -0.367
local terms energy: -50.750764
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: 4.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -85.539998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.539998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.539998 (E_RNA)
where:
Base-Base interactions energy: -35.007
where: short stacking energy: -28.801
Base-Backbone interact. energy: -0.478
local terms energy: -50.055112
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -75.202304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.202304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.202304 (E_RNA)
where:
Base-Base interactions energy: -25.392
where: short stacking energy: -26.348
Base-Backbone interact. energy: 0.114
local terms energy: -49.924323
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -219.058810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.058810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.058810 (E_RNA)
where:
Base-Base interactions energy: -140.971
where: short stacking energy: -71.347
Base-Backbone interact. energy: -0.177
local terms energy: -77.911498
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -21.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -216.574111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.574111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.574111 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -68.245
Base-Backbone interact. energy: -0.083
local terms energy: -78.395631
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -210.474808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.474808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.474808 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -69.386
Base-Backbone interact. energy: -1.372
local terms energy: -76.207101
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -188.391495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.391495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.391495 (E_RNA)
where:
Base-Base interactions energy: -116.902
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.160
local terms energy: -71.330094
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -209.661720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.661720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.661720 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.644
local terms energy: -75.966573
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -95.697393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.697393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.697393 (E_RNA)
where:
Base-Base interactions energy: -38.477
where: short stacking energy: -38.477
Base-Backbone interact. energy: -0.101
local terms energy: -57.119666
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -5.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -97.391826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.391826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.391826 (E_RNA)
where:
Base-Base interactions energy: -49.165
where: short stacking energy: -20.985
Base-Backbone interact. energy: -0.181
local terms energy: -48.046047
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -79.380245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.380245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.380245 (E_RNA)
where:
Base-Base interactions energy: -24.880
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.358
local terms energy: -54.142920
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -2.643
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: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -82.081868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.081868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.081868 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -25.442
Base-Backbone interact. energy: -0.105
local terms energy: -48.459558
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -84.366519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.366519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.366519 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -32.519
Base-Backbone interact. energy: -0.728
local terms energy: -51.786106
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -6.815
flat angles P-C4'-P energy: -9.846
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -216.895197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.895197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.895197 (E_RNA)
where:
Base-Base interactions energy: -138.127
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.232
local terms energy: -78.535841
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -17.868
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -223.932371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.932371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.932371 (E_RNA)
where:
Base-Base interactions energy: -144.034
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.012
local terms energy: -79.885906
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -23.244
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: 4
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -214.001095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.001095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.001095 (E_RNA)
where:
Base-Base interactions energy: -131.394
where: short stacking energy: -72.824
Base-Backbone interact. energy: -0.049
local terms energy: -82.557499
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -180.647669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.647669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.647669 (E_RNA)
where:
Base-Base interactions energy: -120.950
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.180
local terms energy: -59.516967
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -7.968
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -191.237275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.237275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.237275 (E_RNA)
where:
Base-Base interactions energy: -125.583
where: short stacking energy: -61.581
Base-Backbone interact. energy: -0.069
local terms energy: -65.586068
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -89.294685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294685 (E_RNA)
where:
Base-Base interactions energy: -36.545
where: short stacking energy: -28.753
Base-Backbone interact. energy: 0.584
local terms energy: -53.333793
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -84.846858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.846858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.846858 (E_RNA)
where:
Base-Base interactions energy: -34.523
where: short stacking energy: -34.523
Base-Backbone interact. energy: -0.252
local terms energy: -50.071938
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -2.579
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -80.280126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.280126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.280126 (E_RNA)
where:
Base-Base interactions energy: -25.581
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.195
local terms energy: -54.503646
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -88.414095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.414095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.414095 (E_RNA)
where:
Base-Base interactions energy: -43.735
where: short stacking energy: -33.071
Base-Backbone interact. energy: 0.825
local terms energy: -45.504067
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -7.638
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -1.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -79.130024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.130024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.130024 (E_RNA)
where:
Base-Base interactions energy: -33.949
where: short stacking energy: -32.672
Base-Backbone interact. energy: -0.028
local terms energy: -45.152931
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -2.288
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -5.294
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -223.324963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.324963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.324963 (E_RNA)
where:
Base-Base interactions energy: -142.875
where: short stacking energy: -71.530
Base-Backbone interact. energy: -1.175
local terms energy: -79.274689
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -204.905590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.905590 (E_RNA)
where:
Base-Base interactions energy: -133.611
where: short stacking energy: -54.920
Base-Backbone interact. energy: -0.146
local terms energy: -71.148269
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -214.931879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.931879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.931879 (E_RNA)
where:
Base-Base interactions energy: -132.970
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.005
local terms energy: -81.957331
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -22.081
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: 9
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -197.614013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.614013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.614013 (E_RNA)
where:
Base-Base interactions energy: -119.743
where: short stacking energy: -55.823
Base-Backbone interact. energy: -0.384
local terms energy: -77.487807
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -182.868279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.868279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.868279 (E_RNA)
where:
Base-Base interactions energy: -118.450
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.000
local terms energy: -64.418157
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -118.800995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.800995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.800995 (E_RNA)
where:
Base-Base interactions energy: -57.704
where: short stacking energy: -40.976
Base-Backbone interact. energy: -0.302
local terms energy: -60.794737
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -12.611
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.763
tors. eta vs tors. theta energy: -6.066
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: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -86.436032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.436032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.436032 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.093
local terms energy: -49.887759
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -77.951455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.951455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.951455 (E_RNA)
where:
Base-Base interactions energy: -28.410
where: short stacking energy: -28.410
Base-Backbone interact. energy: -0.174
local terms energy: -49.367331
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -80.657603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.657603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.657603 (E_RNA)
where:
Base-Base interactions energy: -31.449
where: short stacking energy: -29.128
Base-Backbone interact. energy: -0.627
local terms energy: -48.580848
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -2.712
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: 3
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -73.157254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.157254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.157254 (E_RNA)
where:
Base-Base interactions energy: -22.926
where: short stacking energy: -20.014
Base-Backbone interact. energy: 0.405
local terms energy: -50.635487
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -2.222
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -216.173092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.173092 (E_RNA)
where:
Base-Base interactions energy: -135.224
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.014
local terms energy: -80.936034
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -17.910
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: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -221.713522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.713522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.713522 (E_RNA)
where:
Base-Base interactions energy: -146.891
where: short stacking energy: -70.661
Base-Backbone interact. energy: -0.036
local terms energy: -74.786461
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -9.645
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -197.945784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.945784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.945784 (E_RNA)
where:
Base-Base interactions energy: -121.620
where: short stacking energy: -56.037
Base-Backbone interact. energy: -0.005
local terms energy: -76.320955
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -212.666669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.666669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.666669 (E_RNA)
where:
Base-Base interactions energy: -144.583
where: short stacking energy: -69.336
Base-Backbone interact. energy: -0.072
local terms energy: -68.011583
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -21.856
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: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -167.525183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.525183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.525183 (E_RNA)
where:
Base-Base interactions energy: -103.559
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.177
local terms energy: -63.788946
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -4.082
tors. eta vs tors. theta energy: -17.539
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: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -103.456882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.456882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.456882 (E_RNA)
where:
Base-Base interactions energy: -41.550
where: short stacking energy: -41.501
Base-Backbone interact. energy: -0.009
local terms energy: -61.898170
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -91.227582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.227582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.227582 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -21.271
Base-Backbone interact. energy: -0.074
local terms energy: -56.950671
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -11.517
flat angles P-C4'-P energy: -11.035
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: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -90.399357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.399357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.399357 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -28.120
Base-Backbone interact. energy: -0.233
local terms energy: -60.431684
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -81.095816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.095816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.095816 (E_RNA)
where:
Base-Base interactions energy: -37.388
where: short stacking energy: -31.836
Base-Backbone interact. energy: 0.481
local terms energy: -44.188731
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -0.359
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -70.047085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.047085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.047085 (E_RNA)
where:
Base-Base interactions energy: -16.213
where: short stacking energy: -16.213
Base-Backbone interact. energy: -0.111
local terms energy: -53.722983
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: 2.065
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -207.149380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.149380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.149380 (E_RNA)
where:
Base-Base interactions energy: -132.392
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.064
local terms energy: -74.693599
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -218.783223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.783223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.783223 (E_RNA)
where:
Base-Base interactions energy: -140.606
where: short stacking energy: -70.718
Base-Backbone interact. energy: -1.694
local terms energy: -76.483660
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -207.724838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.724838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.724838 (E_RNA)
where:
Base-Base interactions energy: -134.337
where: short stacking energy: -68.513
Base-Backbone interact. energy: -0.009
local terms energy: -73.378761
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -205.047231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.047231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.047231 (E_RNA)
where:
Base-Base interactions energy: -127.093
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.082
local terms energy: -77.872212
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -21.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -172.863997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.863997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.863997 (E_RNA)
where:
Base-Base interactions energy: -101.429
where: short stacking energy: -54.840
Base-Backbone interact. energy: -0.822
local terms energy: -70.613497
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -97.208841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.208841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.208841 (E_RNA)
where:
Base-Base interactions energy: -40.430
where: short stacking energy: -27.685
Base-Backbone interact. energy: 0.202
local terms energy: -56.981114
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -86.340894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.340894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.340894 (E_RNA)
where:
Base-Base interactions energy: -29.028
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.007
local terms energy: -57.306076
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -94.801094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.801094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.801094 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -30.491
Base-Backbone interact. energy: -0.823
local terms energy: -55.675691
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -7.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -84.418530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.418530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.418530 (E_RNA)
where:
Base-Base interactions energy: -46.949
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.459
local terms energy: -37.010580
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -1.601
tors. eta vs tors. theta energy: -1.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -78.511074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511074 (E_RNA)
where:
Base-Base interactions energy: -34.307
where: short stacking energy: -25.763
Base-Backbone interact. energy: -0.263
local terms energy: -43.940677
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: 0.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -221.857743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.857743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857743 (E_RNA)
where:
Base-Base interactions energy: -139.596
where: short stacking energy: -75.587
Base-Backbone interact. energy: -0.009
local terms energy: -82.252948
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -211.007124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007124 (E_RNA)
where:
Base-Base interactions energy: -133.239
where: short stacking energy: -67.084
Base-Backbone interact. energy: -0.010
local terms energy: -77.757682
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -21.117
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: 6
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -219.440426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.440426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.440426 (E_RNA)
where:
Base-Base interactions energy: -144.478
where: short stacking energy: -69.932
Base-Backbone interact. energy: -0.282
local terms energy: -74.680053
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.427
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: 4, replica: 9
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -211.335576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.335576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.335576 (E_RNA)
where:
Base-Base interactions energy: -144.363
where: short stacking energy: -75.072
Base-Backbone interact. energy: -0.052
local terms energy: -66.921017
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -165.679525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.679525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.679525 (E_RNA)
where:
Base-Base interactions energy: -96.956
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.428
local terms energy: -68.295219
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -97.144274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.144274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.144274 (E_RNA)
where:
Base-Base interactions energy: -45.943
where: short stacking energy: -25.837
Base-Backbone interact. energy: 0.616
local terms energy: -51.816996
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -5.739
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: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -90.429836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.429836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.429836 (E_RNA)
where:
Base-Base interactions energy: -44.278
where: short stacking energy: -38.829
Base-Backbone interact. energy: 2.328
local terms energy: -48.480060
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.359
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: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -84.993522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.993522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.993522 (E_RNA)
where:
Base-Base interactions energy: -34.500
where: short stacking energy: -31.940
Base-Backbone interact. energy: 1.279
local terms energy: -51.772211
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -4.018
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: 360
Temperature: 1.300000
Total energy: -77.200342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.200342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.200342 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -26.772
Base-Backbone interact. energy: 0.028
local terms energy: -48.939390
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -9.005
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -74.845953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.845953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.845953 (E_RNA)
where:
Base-Base interactions energy: -20.418
where: short stacking energy: -20.418
Base-Backbone interact. energy: -0.095
local terms energy: -54.333016
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -11.212
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -220.891088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.891088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.891088 (E_RNA)
where:
Base-Base interactions energy: -145.306
where: short stacking energy: -76.757
Base-Backbone interact. energy: -0.015
local terms energy: -75.569457
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -221.258463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.258463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.258463 (E_RNA)
where:
Base-Base interactions energy: -140.704
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.036
local terms energy: -80.517930
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.805
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: 3, replica: 6
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -218.624675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.624675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.624675 (E_RNA)
where:
Base-Base interactions energy: -148.261
where: short stacking energy: -74.548
Base-Backbone interact. energy: -0.035
local terms energy: -70.328569
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -211.679674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.679674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.679674 (E_RNA)
where:
Base-Base interactions energy: -131.373
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.141
local terms energy: -80.165979
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -130.743236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.743236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.743236 (E_RNA)
where:
Base-Base interactions energy: -77.575
where: short stacking energy: -31.112
Base-Backbone interact. energy: -0.361
local terms energy: -52.806975
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -88.871962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.871962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.871962 (E_RNA)
where:
Base-Base interactions energy: -39.810
where: short stacking energy: -30.562
Base-Backbone interact. energy: -0.357
local terms energy: -48.705415
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -5.294
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: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -101.036805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.036805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.036805 (E_RNA)
where:
Base-Base interactions energy: -43.603
where: short stacking energy: -43.603
Base-Backbone interact. energy: 0.413
local terms energy: -57.846978
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -9.888
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: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -96.017254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017254 (E_RNA)
where:
Base-Base interactions energy: -33.797
where: short stacking energy: -25.580
Base-Backbone interact. energy: -0.053
local terms energy: -62.166771
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -80.873107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.873107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.873107 (E_RNA)
where:
Base-Base interactions energy: -30.623
where: short stacking energy: -30.623
Base-Backbone interact. energy: 1.161
local terms energy: -51.411131
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -5.595
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -77.784168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.784168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.784168 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -15.105
Base-Backbone interact. energy: -0.093
local terms energy: -42.162123
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -10.825
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: 2.502
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -222.305115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.305115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.305115 (E_RNA)
where:
Base-Base interactions energy: -134.889
where: short stacking energy: -73.037
Base-Backbone interact. energy: -0.005
local terms energy: -87.411305
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -23.471
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: 2, replica: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -217.893250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.893250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.893250 (E_RNA)
where:
Base-Base interactions energy: -142.740
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.018
local terms energy: -75.135697
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -214.196123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.196123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.196123 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -64.556
Base-Backbone interact. energy: 0.829
local terms energy: -71.846831
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -10.140
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -204.277935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.277935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.277935 (E_RNA)
where:
Base-Base interactions energy: -136.863
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.197
local terms energy: -67.218202
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -151.923366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.923366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.923366 (E_RNA)
where:
Base-Base interactions energy: -86.655
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.096
local terms energy: -65.171922
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -137.137386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.137386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.137386 (E_RNA)
where:
Base-Base interactions energy: -82.260
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.248
local terms energy: -54.629189
where:
bonds (distance) C4'-P energy: -4.531
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -85.361372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.361372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.361372 (E_RNA)
where:
Base-Base interactions energy: -35.554
where: short stacking energy: -27.095
Base-Backbone interact. energy: -0.229
local terms energy: -49.577975
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -11.112
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -5.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -86.903484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.903484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.903484 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -25.425
Base-Backbone interact. energy: 0.254
local terms energy: -44.060616
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -5.347
tors. eta vs tors. theta energy: 5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -92.426018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.426018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.426018 (E_RNA)
where:
Base-Base interactions energy: -37.601
where: short stacking energy: -25.936
Base-Backbone interact. energy: -0.335
local terms energy: -54.490146
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -2.526
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: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -74.798345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.798345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.798345 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -27.552
Base-Backbone interact. energy: 0.496
local terms energy: -46.834072
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -219.715081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.715081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.715081 (E_RNA)
where:
Base-Base interactions energy: -142.256
where: short stacking energy: -64.522
Base-Backbone interact. energy: -0.062
local terms energy: -77.397636
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -11.952
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: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -217.200457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.200457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.200457 (E_RNA)
where:
Base-Base interactions energy: -140.320
where: short stacking energy: -70.182
Base-Backbone interact. energy: -0.176
local terms energy: -76.704756
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -212.179601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.179601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.179601 (E_RNA)
where:
Base-Base interactions energy: -143.356
where: short stacking energy: -66.999
Base-Backbone interact. energy: 0.620
local terms energy: -69.443972
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -218.017734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.017734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.017734 (E_RNA)
where:
Base-Base interactions energy: -143.486
where: short stacking energy: -74.575
Base-Backbone interact. energy: -0.043
local terms energy: -74.488960
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -17.989
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: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -170.302966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.302966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.302966 (E_RNA)
where:
Base-Base interactions energy: -105.497
where: short stacking energy: -50.746
Base-Backbone interact. energy: -0.235
local terms energy: -64.570664
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -161.237891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.237891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.237891 (E_RNA)
where:
Base-Base interactions energy: -93.694
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.009
local terms energy: -67.535303
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -90.430716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430716 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -30.745
Base-Backbone interact. energy: -0.156
local terms energy: -53.478355
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -12.752
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -89.768429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.768429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.768429 (E_RNA)
where:
Base-Base interactions energy: -50.989
where: short stacking energy: -25.917
Base-Backbone interact. energy: -0.269
local terms energy: -38.510540
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: 5.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -75.206777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.206777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.206777 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -20.799
Base-Backbone interact. energy: 1.287
local terms energy: -38.731312
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: 6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -74.495937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.495937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.495937 (E_RNA)
where:
Base-Base interactions energy: -30.529
where: short stacking energy: -27.157
Base-Backbone interact. energy: 1.877
local terms energy: -45.843864
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -217.146518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.146518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.146518 (E_RNA)
where:
Base-Base interactions energy: -134.950
where: short stacking energy: -72.965
Base-Backbone interact. energy: 0.012
local terms energy: -82.208711
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -16.913
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -24.741
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: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -214.400592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.400592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.400592 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -65.733
Base-Backbone interact. energy: -0.111
local terms energy: -78.264638
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -13.084
tors. eta vs tors. theta energy: -19.586
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: 4
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -207.324082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.324082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.324082 (E_RNA)
where:
Base-Base interactions energy: -133.320
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.001
local terms energy: -74.003091
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -190.928540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.928540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.928540 (E_RNA)
where:
Base-Base interactions energy: -121.825
where: short stacking energy: -61.138
Base-Backbone interact. energy: -2.019
local terms energy: -67.084552
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -160.395355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.395355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.395355 (E_RNA)
where:
Base-Base interactions energy: -92.155
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.098
local terms energy: -68.142158
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -161.214936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.214936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.214936 (E_RNA)
where:
Base-Base interactions energy: -103.814
where: short stacking energy: -42.861
Base-Backbone interact. energy: -0.643
local terms energy: -56.757625
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -108.790751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.790751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.790751 (E_RNA)
where:
Base-Base interactions energy: -53.374
where: short stacking energy: -38.454
Base-Backbone interact. energy: -0.114
local terms energy: -55.303096
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -91.729979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.729979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.729979 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -28.033
Base-Backbone interact. energy: -0.189
local terms energy: -52.298694
where:
bonds (distance) C4'-P energy: -11.125
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -4.507
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: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -81.409170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.409170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.409170 (E_RNA)
where:
Base-Base interactions energy: -31.596
where: short stacking energy: -16.586
Base-Backbone interact. energy: -0.365
local terms energy: -49.448585
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -2.974
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: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -78.730359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730359 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -32.303
Base-Backbone interact. energy: -1.112
local terms energy: -43.711278
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: -5.854
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -224.280620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.280620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.280620 (E_RNA)
where:
Base-Base interactions energy: -143.387
where: short stacking energy: -73.032
Base-Backbone interact. energy: -0.002
local terms energy: -80.891507
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -21.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -201.049801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049801 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -56.329
Base-Backbone interact. energy: -0.734
local terms energy: -70.386872
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -14.070
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -194.753251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.753251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.753251 (E_RNA)
where:
Base-Base interactions energy: -125.458
where: short stacking energy: -51.231
Base-Backbone interact. energy: -0.438
local terms energy: -68.857664
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -12.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -151.950538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.950538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.950538 (E_RNA)
where:
Base-Base interactions energy: -86.819
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.064
local terms energy: -65.067255
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -11.071
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -206.196603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.196603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196603 (E_RNA)
where:
Base-Base interactions energy: -131.325
where: short stacking energy: -63.814
Base-Backbone interact. energy: 0.300
local terms energy: -75.172038
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -139.834653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.834653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.834653 (E_RNA)
where:
Base-Base interactions energy: -72.975
where: short stacking energy: -47.324
Base-Backbone interact. energy: -1.195
local terms energy: -65.664496
where:
bonds (distance) C4'-P energy: -10.892
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -98.713604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.713604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.713604 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.156
local terms energy: -58.893368
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -80.385182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.385182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.385182 (E_RNA)
where:
Base-Base interactions energy: -25.023
where: short stacking energy: -20.874
Base-Backbone interact. energy: 0.094
local terms energy: -55.456253
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -76.319986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.319986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.319986 (E_RNA)
where:
Base-Base interactions energy: -23.988
where: short stacking energy: -23.988
Base-Backbone interact. energy: -0.020
local terms energy: -52.312392
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -76.820077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820077 (E_RNA)
where:
Base-Base interactions energy: -30.020
where: short stacking energy: -24.401
Base-Backbone interact. energy: -0.229
local terms energy: -46.571019
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -2.006
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -212.006370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.006370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.006370 (E_RNA)
where:
Base-Base interactions energy: -131.948
where: short stacking energy: -67.371
Base-Backbone interact. energy: -0.028
local terms energy: -80.030049
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -21.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -214.301186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.301186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.301186 (E_RNA)
where:
Base-Base interactions energy: -136.833
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.084
local terms energy: -77.384793
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -20.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -213.393050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.393050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.393050 (E_RNA)
where:
Base-Base interactions energy: -135.207
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.240
local terms energy: -77.945649
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -121.137450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.137450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.137450 (E_RNA)
where:
Base-Base interactions energy: -57.414
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.125
local terms energy: -63.598884
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -8.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -194.115506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.115506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.115506 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.103
local terms energy: -66.130973
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -12.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -96.437675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.437675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.437675 (E_RNA)
where:
Base-Base interactions energy: -43.615
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.169
local terms energy: -52.653869
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.385
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: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -83.086969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.086969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.086969 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -23.553
Base-Backbone interact. energy: -0.131
local terms energy: -51.014752
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -87.429694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.429694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.429694 (E_RNA)
where:
Base-Base interactions energy: -32.244
where: short stacking energy: -21.237
Base-Backbone interact. energy: 1.978
local terms energy: -57.163701
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.330586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330586 (E_RNA)
where:
Base-Base interactions energy: -27.663
where: short stacking energy: -20.009
Base-Backbone interact. energy: 0.285
local terms energy: -51.952079
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: 0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -80.350432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.350432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.350432 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -34.459
Base-Backbone interact. energy: -0.101
local terms energy: -45.790793
where:
bonds (distance) C4'-P energy: -6.668
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -10.897
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -4.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -226.209234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.209234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.209234 (E_RNA)
where:
Base-Base interactions energy: -143.968
where: short stacking energy: -76.749
Base-Backbone interact. energy: -0.019
local terms energy: -82.222464
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -20.951
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: 2, replica: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -212.975000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.975000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.975000 (E_RNA)
where:
Base-Base interactions energy: -132.350
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.006
local terms energy: -80.619539
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -21.597
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: 4
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -216.556558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.556558 (E_RNA)
where:
Base-Base interactions energy: -137.323
where: short stacking energy: -71.926
Base-Backbone interact. energy: -0.017
local terms energy: -79.216624
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -201.073173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.073173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.073173 (E_RNA)
where:
Base-Base interactions energy: -133.587
where: short stacking energy: -67.991
Base-Backbone interact. energy: -0.540
local terms energy: -66.945764
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -17.606
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -110.180365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.180365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.180365 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -34.544
Base-Backbone interact. energy: 0.114
local terms energy: -66.284166
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -8.978
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: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -83.816741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816741 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.488
local terms energy: -52.813978
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -6.035
flat angles P-C4'-P energy: -12.499
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: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -90.821903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.821903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.821903 (E_RNA)
where:
Base-Base interactions energy: -39.460
where: short stacking energy: -39.293
Base-Backbone interact. energy: -0.023
local terms energy: -51.338815
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -6.787
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -4.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -79.607666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.607666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.607666 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -30.256
Base-Backbone interact. energy: 0.725
local terms energy: -50.076463
where:
bonds (distance) C4'-P energy: -7.818
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -6.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -73.370676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.370676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.370676 (E_RNA)
where:
Base-Base interactions energy: -36.371
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.367
local terms energy: -36.632447
where:
bonds (distance) C4'-P energy: -6.034
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: 1.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.569658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.569658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.569658 (E_RNA)
where:
Base-Base interactions energy: -26.833
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.030
local terms energy: -51.706833
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -223.778052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.778052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.778052 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -76.030
Base-Backbone interact. energy: -0.005
local terms energy: -80.115336
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -215.192771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.192771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192771 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -75.592
Base-Backbone interact. energy: -0.037
local terms energy: -79.175363
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -23.695
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: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -211.085023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.085023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.085023 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -64.217
Base-Backbone interact. energy: -0.193
local terms energy: -78.509074
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -19.039
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: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -207.696089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.696089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.696089 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.049
local terms energy: -71.132486
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -113.508628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.508628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.508628 (E_RNA)
where:
Base-Base interactions energy: -56.634
where: short stacking energy: -33.115
Base-Backbone interact. energy: -0.058
local terms energy: -56.816689
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -7.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -90.456260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.456260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.456260 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -33.907
Base-Backbone interact. energy: -0.179
local terms energy: -52.381272
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -4.985
tors. eta vs tors. theta energy: -6.869
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: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -88.438112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.438112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.438112 (E_RNA)
where:
Base-Base interactions energy: -43.789
where: short stacking energy: -29.312
Base-Backbone interact. energy: -1.142
local terms energy: -43.506443
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -7.404
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -91.351996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.351996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.351996 (E_RNA)
where:
Base-Base interactions energy: -48.262
where: short stacking energy: -23.011
Base-Backbone interact. energy: -1.079
local terms energy: -42.010695
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -4.165
tors. eta vs tors. theta energy: 5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -77.085075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.085075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.085075 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -25.882
Base-Backbone interact. energy: -0.489
local terms energy: -47.824127
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -71.386244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.386244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.386244 (E_RNA)
where:
Base-Base interactions energy: -20.219
where: short stacking energy: -18.965
Base-Backbone interact. energy: -0.211
local terms energy: -50.955382
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -224.200238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200238 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -71.465
Base-Backbone interact. energy: -0.049
local terms energy: -84.965789
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -14.033
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -211.324140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.324140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.324140 (E_RNA)
where:
Base-Base interactions energy: -132.425
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.375
local terms energy: -78.524026
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -19.780
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: 6
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -211.904855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.904855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.904855 (E_RNA)
where:
Base-Base interactions energy: -135.565
where: short stacking energy: -69.000
Base-Backbone interact. energy: -0.051
local terms energy: -76.289336
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -21.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -205.673467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.673467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.673467 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -68.376
Base-Backbone interact. energy: -0.130
local terms energy: -76.020048
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -103.925089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.925089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.925089 (E_RNA)
where:
Base-Base interactions energy: -33.497
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.097
local terms energy: -70.331232
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -11.094
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: 369
Temperature: 1.150000
Total energy: -96.431134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.431134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.431134 (E_RNA)
where:
Base-Base interactions energy: -38.903
where: short stacking energy: -37.995
Base-Backbone interact. energy: 0.209
local terms energy: -57.737492
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.972
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: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -94.143869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.143869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.143869 (E_RNA)
where:
Base-Base interactions energy: -35.934
where: short stacking energy: -35.079
Base-Backbone interact. energy: -0.029
local terms energy: -58.180596
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -84.790081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.790081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.790081 (E_RNA)
where:
Base-Base interactions energy: -39.902
where: short stacking energy: -34.367
Base-Backbone interact. energy: -0.059
local terms energy: -44.828928
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: 0.181
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -82.284925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.284925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.284925 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -28.168
Base-Backbone interact. energy: -0.032
local terms energy: -52.614957
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -75.709609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.709609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.709609 (E_RNA)
where:
Base-Base interactions energy: -30.172
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.550
local terms energy: -44.988314
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -7.920
flat angles P-C4'-P energy: -11.342
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -221.208291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.208291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.208291 (E_RNA)
where:
Base-Base interactions energy: -145.112
where: short stacking energy: -68.224
Base-Backbone interact. energy: -0.005
local terms energy: -76.091436
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -15.741
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: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -207.274270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.274270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.274270 (E_RNA)
where:
Base-Base interactions energy: -127.277
where: short stacking energy: -64.638
Base-Backbone interact. energy: -0.082
local terms energy: -79.915247
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -199.403105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.403105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.403105 (E_RNA)
where:
Base-Base interactions energy: -130.348
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.091
local terms energy: -68.964252
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -202.070583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.070583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.070583 (E_RNA)
where:
Base-Base interactions energy: -127.146
where: short stacking energy: -58.714
Base-Backbone interact. energy: -0.049
local terms energy: -74.875402
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -111.354660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.354660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.354660 (E_RNA)
where:
Base-Base interactions energy: -54.623
where: short stacking energy: -40.867
Base-Backbone interact. energy: -0.063
local terms energy: -56.668926
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -118.007273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.007273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.007273 (E_RNA)
where:
Base-Base interactions energy: -51.821
where: short stacking energy: -48.963
Base-Backbone interact. energy: -0.002
local terms energy: -66.184556
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -10.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -94.083441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.083441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.083441 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -38.080
Base-Backbone interact. energy: -0.044
local terms energy: -52.545063
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.570
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: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -96.196347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.196347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.196347 (E_RNA)
where:
Base-Base interactions energy: -36.576
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.259
local terms energy: -59.362022
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -80.880831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.880831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.880831 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.082
local terms energy: -41.148613
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -7.860
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -4.620
tors. eta vs tors. theta energy: -5.409
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: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -78.871603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.871603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.871603 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -26.150
Base-Backbone interact. energy: 0.028
local terms energy: -43.600672
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.231
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -3.064
tors. eta vs tors. theta energy: -3.671
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -219.175780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.175780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.175780 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.040
local terms energy: -80.678147
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -23.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -218.257658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.257658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.257658 (E_RNA)
where:
Base-Base interactions energy: -139.145
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.001
local terms energy: -79.111660
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -20.034
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: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -218.513473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.513473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.513473 (E_RNA)
where:
Base-Base interactions energy: -138.134
where: short stacking energy: -73.545
Base-Backbone interact. energy: 0.035
local terms energy: -80.414704
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -23.385
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: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -211.727185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.727185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.727185 (E_RNA)
where:
Base-Base interactions energy: -133.249
where: short stacking energy: -69.727
Base-Backbone interact. energy: 0.327
local terms energy: -78.805354
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -104.497211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.497211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.497211 (E_RNA)
where:
Base-Base interactions energy: -49.541
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.067
local terms energy: -54.889613
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -10.270
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -9.423
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: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -117.908330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.908330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.908330 (E_RNA)
where:
Base-Base interactions energy: -59.640
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.355
local terms energy: -57.913002
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -88.839586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.839586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.839586 (E_RNA)
where:
Base-Base interactions energy: -35.312
where: short stacking energy: -26.327
Base-Backbone interact. energy: -0.146
local terms energy: -53.381090
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -81.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.857148 (E_RNA)
where:
Base-Base interactions energy: -33.361
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.267
local terms energy: -48.229486
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -85.293913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.293913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.293913 (E_RNA)
where:
Base-Base interactions energy: -32.927
where: short stacking energy: -19.473
Base-Backbone interact. energy: -0.125
local terms energy: -52.241162
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: 0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -87.195298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.195298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.195298 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.006
local terms energy: -53.301313
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -216.905239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.905239 (E_RNA)
where:
Base-Base interactions energy: -138.244
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.065
local terms energy: -78.596533
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -215.488162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.488162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.488162 (E_RNA)
where:
Base-Base interactions energy: -134.458
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.004
local terms energy: -81.026068
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -207.076804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.076804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.076804 (E_RNA)
where:
Base-Base interactions energy: -133.278
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.509
local terms energy: -73.290709
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -23.163
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: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -208.196397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.196397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.196397 (E_RNA)
where:
Base-Base interactions energy: -136.247
where: short stacking energy: -73.046
Base-Backbone interact. energy: -0.019
local terms energy: -71.930655
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -9.285
flat angles C4'-P-C4' energy: -15.679
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -21.453
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: 5, replica: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -108.737701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.737701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.737701 (E_RNA)
where:
Base-Base interactions energy: -45.720
where: short stacking energy: -45.720
Base-Backbone interact. energy: -0.046
local terms energy: -62.971153
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -100.351744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.351744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.351744 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -34.914
Base-Backbone interact. energy: -0.001
local terms energy: -56.818391
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -91.082776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.082776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.082776 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -34.215
Base-Backbone interact. energy: -0.183
local terms energy: -52.577116
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -105.957536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.957536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.957536 (E_RNA)
where:
Base-Base interactions energy: -49.810
where: short stacking energy: -24.220
Base-Backbone interact. energy: 0.229
local terms energy: -56.376220
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -81.591812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.591812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.591812 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -30.348
Base-Backbone interact. energy: -0.456
local terms energy: -48.133094
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -6.146
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -6.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -83.641701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.641701 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -25.485
Base-Backbone interact. energy: 0.670
local terms energy: -44.130180
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -218.278671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.278671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.278671 (E_RNA)
where:
Base-Base interactions energy: -136.547
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.026
local terms energy: -81.706117
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -12.294
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: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -218.823421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.823421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.823421 (E_RNA)
where:
Base-Base interactions energy: -139.042
where: short stacking energy: -72.664
Base-Backbone interact. energy: -0.014
local terms energy: -79.767725
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -215.023647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.023647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.023647 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.033
local terms energy: -78.453364
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -10.207
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: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -187.180907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.180907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.180907 (E_RNA)
where:
Base-Base interactions energy: -121.235
where: short stacking energy: -54.235
Base-Backbone interact. energy: -0.113
local terms energy: -65.833163
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -103.092133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.092133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.092133 (E_RNA)
where:
Base-Base interactions energy: -41.005
where: short stacking energy: -41.005
Base-Backbone interact. energy: -0.208
local terms energy: -61.879073
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -10.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -93.369464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.369464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.369464 (E_RNA)
where:
Base-Base interactions energy: -50.283
where: short stacking energy: -31.704
Base-Backbone interact. energy: -0.334
local terms energy: -42.752453
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -9.759
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -91.890991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.890991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.890991 (E_RNA)
where:
Base-Base interactions energy: -36.964
where: short stacking energy: -20.822
Base-Backbone interact. energy: -0.553
local terms energy: -54.373499
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -122.995137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.995137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.995137 (E_RNA)
where:
Base-Base interactions energy: -70.391
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.294
local terms energy: -52.309670
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -10.053
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -81.239102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.239102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.239102 (E_RNA)
where:
Base-Base interactions energy: -31.610
where: short stacking energy: -31.610
Base-Backbone interact. energy: -0.280
local terms energy: -49.348505
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -9.415
flat angles P-C4'-P energy: -5.705
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.559443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.559443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.559443 (E_RNA)
where:
Base-Base interactions energy: -29.888
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.071
local terms energy: -47.600095
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -7.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -208.973834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.973834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.973834 (E_RNA)
where:
Base-Base interactions energy: -136.540
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.066
local terms energy: -72.367750
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -219.760035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.760035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.760035 (E_RNA)
where:
Base-Base interactions energy: -142.177
where: short stacking energy: -74.296
Base-Backbone interact. energy: -0.076
local terms energy: -77.506824
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -198.382262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.382262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.382262 (E_RNA)
where:
Base-Base interactions energy: -130.435
where: short stacking energy: -54.068
Base-Backbone interact. energy: -0.421
local terms energy: -67.526192
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -15.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -203.429068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.429068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.429068 (E_RNA)
where:
Base-Base interactions energy: -131.187
where: short stacking energy: -68.409
Base-Backbone interact. energy: 0.150
local terms energy: -72.392646
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -21.305
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: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -98.408079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.408079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.408079 (E_RNA)
where:
Base-Base interactions energy: -38.634
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.108
local terms energy: -59.665594
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -106.254722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.254722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.254722 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -40.063
Base-Backbone interact. energy: -0.168
local terms energy: -66.024029
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.480
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: 7, replica: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -119.490725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.490725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.490725 (E_RNA)
where:
Base-Base interactions energy: -65.035
where: short stacking energy: -37.979
Base-Backbone interact. energy: -0.353
local terms energy: -54.103069
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -7.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -90.137720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.137720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.137720 (E_RNA)
where:
Base-Base interactions energy: -35.143
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.907
local terms energy: -54.087539
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -11.505
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -78.209230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.209230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.209230 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.190
local terms energy: -48.956405
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -8.195
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -70.608996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.608996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.608996 (E_RNA)
where:
Base-Base interactions energy: -17.836
where: short stacking energy: -15.987
Base-Backbone interact. energy: 0.353
local terms energy: -53.126080
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -1.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -221.463906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.463906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.463906 (E_RNA)
where:
Base-Base interactions energy: -138.450
where: short stacking energy: -73.611
Base-Backbone interact. energy: -0.016
local terms energy: -82.997950
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -23.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -227.059032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.059032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.059032 (E_RNA)
where:
Base-Base interactions energy: -149.761
where: short stacking energy: -77.246
Base-Backbone interact. energy: -0.359
local terms energy: -76.938420
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -12.135
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: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -214.952618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.952618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.952618 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -64.801
Base-Backbone interact. energy: -0.287
local terms energy: -76.657778
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -200.686247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.686247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.686247 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -66.066
Base-Backbone interact. energy: -0.056
local terms energy: -68.534918
where:
bonds (distance) C4'-P energy: -10.355
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -19.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -98.258016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.258016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.258016 (E_RNA)
where:
Base-Base interactions energy: -37.012
where: short stacking energy: -37.012
Base-Backbone interact. energy: -0.011
local terms energy: -61.235121
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -129.498421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.498421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.498421 (E_RNA)
where:
Base-Base interactions energy: -74.038
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.143
local terms energy: -55.317325
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -94.144892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144892 (E_RNA)
where:
Base-Base interactions energy: -37.560
where: short stacking energy: -37.560
Base-Backbone interact. energy: -0.185
local terms energy: -56.400393
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -9.137
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: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -88.376706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.376706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.376706 (E_RNA)
where:
Base-Base interactions energy: -42.464
where: short stacking energy: -40.825
Base-Backbone interact. energy: 1.171
local terms energy: -47.083263
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -7.113
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -8.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -83.701963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.701963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.701963 (E_RNA)
where:
Base-Base interactions energy: -26.389
where: short stacking energy: -23.811
Base-Backbone interact. energy: -0.001
local terms energy: -57.311324
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -1.979
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: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -83.167665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167665 (E_RNA)
where:
Base-Base interactions energy: -27.828
where: short stacking energy: -22.274
Base-Backbone interact. energy: -0.075
local terms energy: -55.263848
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -219.094532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.094532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.094532 (E_RNA)
where:
Base-Base interactions energy: -143.350
where: short stacking energy: -66.960
Base-Backbone interact. energy: 0.019
local terms energy: -75.763894
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -221.068529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.068529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.068529 (E_RNA)
where:
Base-Base interactions energy: -141.289
where: short stacking energy: -72.923
Base-Backbone interact. energy: -0.006
local terms energy: -79.773952
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -21.308
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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -215.518660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.518660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.518660 (E_RNA)
where:
Base-Base interactions energy: -139.541
where: short stacking energy: -66.241
Base-Backbone interact. energy: -0.033
local terms energy: -75.944174
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.349
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: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -216.740046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.740046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.740046 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -70.663
Base-Backbone interact. energy: -0.002
local terms energy: -72.132772
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -19.991
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -137.315415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.315415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.315415 (E_RNA)
where:
Base-Base interactions energy: -84.271
where: short stacking energy: -41.891
Base-Backbone interact. energy: 0.577
local terms energy: -53.620937
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -9.240
flat angles P-C4'-P energy: -9.420
tors. eta vs tors. theta energy: -5.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -106.179446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.179446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.179446 (E_RNA)
where:
Base-Base interactions energy: -49.298
where: short stacking energy: -49.298
Base-Backbone interact. energy: -0.097
local terms energy: -56.784924
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -85.784899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784899 (E_RNA)
where:
Base-Base interactions energy: -32.171
where: short stacking energy: -31.443
Base-Backbone interact. energy: 0.237
local terms energy: -53.851677
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -2.271
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: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -95.406926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.406926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.406926 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -35.124
Base-Backbone interact. energy: -0.115
local terms energy: -47.952039
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -8.654
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -75.952214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.952214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.952214 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -21.856
Base-Backbone interact. energy: -0.165
local terms energy: -41.258847
where:
bonds (distance) C4'-P energy: -6.307
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -86.592040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.592040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.592040 (E_RNA)
where:
Base-Base interactions energy: -35.743
where: short stacking energy: -22.295
Base-Backbone interact. energy: -0.173
local terms energy: -50.676091
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -2.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -219.785080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.785080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.785080 (E_RNA)
where:
Base-Base interactions energy: -142.821
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.155
local terms energy: -76.809825
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -20.214
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -211.200880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.200880 (E_RNA)
where:
Base-Base interactions energy: -132.641
where: short stacking energy: -63.129
Base-Backbone interact. energy: -1.514
local terms energy: -77.044891
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -10.609
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: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -217.115350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.115350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.115350 (E_RNA)
where:
Base-Base interactions energy: -138.728
where: short stacking energy: -72.374
Base-Backbone interact. energy: -0.012
local terms energy: -78.374837
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -22.990
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: 377
Temperature: 1.050000
Total energy: -189.862289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.862289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.862289 (E_RNA)
where:
Base-Base interactions energy: -125.873
where: short stacking energy: -50.956
Base-Backbone interact. energy: -0.267
local terms energy: -63.722590
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -13.266
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: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -138.433933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.433933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.433933 (E_RNA)
where:
Base-Base interactions energy: -78.026
where: short stacking energy: -40.186
Base-Backbone interact. energy: -0.266
local terms energy: -60.141947
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -93.192284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.192284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.192284 (E_RNA)
where:
Base-Base interactions energy: -39.990
where: short stacking energy: -37.155
Base-Backbone interact. energy: -0.211
local terms energy: -52.991529
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.123
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -88.252253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.252253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.252253 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -33.905
Base-Backbone interact. energy: -0.017
local terms energy: -54.329610
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -81.836109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836109 (E_RNA)
where:
Base-Base interactions energy: -42.065
where: short stacking energy: -19.323
Base-Backbone interact. energy: -0.264
local terms energy: -39.506772
where:
bonds (distance) C4'-P energy: -8.018
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -82.075870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.075870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.075870 (E_RNA)
where:
Base-Base interactions energy: -32.448
where: short stacking energy: -30.836
Base-Backbone interact. energy: -0.006
local terms energy: -49.622597
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -85.147584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.147584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.147584 (E_RNA)
where:
Base-Base interactions energy: -35.117
where: short stacking energy: -24.435
Base-Backbone interact. energy: 1.096
local terms energy: -51.126376
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -3.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -219.007873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.007873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.007873 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -73.918
Base-Backbone interact. energy: 0.604
local terms energy: -76.515924
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -219.981894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.981894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.981894 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -70.993
Base-Backbone interact. energy: -0.091
local terms energy: -79.419632
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -216.365067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.365067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.365067 (E_RNA)
where:
Base-Base interactions energy: -137.077
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.114
local terms energy: -79.174052
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -212.160797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.160797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.160797 (E_RNA)
where:
Base-Base interactions energy: -135.186
where: short stacking energy: -69.252
Base-Backbone interact. energy: -0.734
local terms energy: -76.240582
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -18.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -167.133025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.133025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.133025 (E_RNA)
where:
Base-Base interactions energy: -103.452
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.005
local terms energy: -63.676123
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -99.570217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.570217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.570217 (E_RNA)
where:
Base-Base interactions energy: -39.971
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.101
local terms energy: -59.498924
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -7.031
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -82.637825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.637825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.637825 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -31.656
Base-Backbone interact. energy: -0.152
local terms energy: -49.100525
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -94.276515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.276515 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.377
local terms energy: -56.197372
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -6.352
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: 8
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -83.373037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.373037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.373037 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -24.885
Base-Backbone interact. energy: -0.246
local terms energy: -48.788627
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -3.773
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: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -90.038011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038011 (E_RNA)
where:
Base-Base interactions energy: -46.686
where: short stacking energy: -28.693
Base-Backbone interact. energy: -0.089
local terms energy: -43.262722
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -5.990
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -8.787
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -218.328020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.328020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.328020 (E_RNA)
where:
Base-Base interactions energy: -136.945
where: short stacking energy: -70.054
Base-Backbone interact. energy: -0.041
local terms energy: -81.342409
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -216.102219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.102219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.102219 (E_RNA)
where:
Base-Base interactions energy: -141.562
where: short stacking energy: -72.345
Base-Backbone interact. energy: -0.073
local terms energy: -74.467516
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -17.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -214.030341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.030341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.030341 (E_RNA)
where:
Base-Base interactions energy: -137.318
where: short stacking energy: -72.494
Base-Backbone interact. energy: -0.016
local terms energy: -76.696212
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -209.260474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.260474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.260474 (E_RNA)
where:
Base-Base interactions energy: -135.414
where: short stacking energy: -65.869
Base-Backbone interact. energy: -0.406
local terms energy: -73.440401
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -193.532865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.532865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.532865 (E_RNA)
where:
Base-Base interactions energy: -127.202
where: short stacking energy: -64.098
Base-Backbone interact. energy: -0.007
local terms energy: -66.324048
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -100.052458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.052458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.052458 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -40.975
Base-Backbone interact. energy: -0.019
local terms energy: -57.595873
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -5.097
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: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -89.856132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.856132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.856132 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -37.204
Base-Backbone interact. energy: -0.118
local terms energy: -49.945108
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -87.773961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.773961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.773961 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.113
local terms energy: -52.591139
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.525
flat angles C4'-P-C4' energy: -9.031
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -3.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -79.005542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.005542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.005542 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -19.893
Base-Backbone interact. energy: -0.462
local terms energy: -45.624223
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: 4.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -78.098506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.098506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.098506 (E_RNA)
where:
Base-Base interactions energy: -22.144
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.168
local terms energy: -55.786286
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -220.382967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.382967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.382967 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -69.138
Base-Backbone interact. energy: -0.391
local terms energy: -75.363078
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -218.964837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.964837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.964837 (E_RNA)
where:
Base-Base interactions energy: -142.223
where: short stacking energy: -75.177
Base-Backbone interact. energy: -0.964
local terms energy: -75.777710
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -196.048514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.048514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.048514 (E_RNA)
where:
Base-Base interactions energy: -123.787
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.002
local terms energy: -72.259295
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -210.456767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.456767 (E_RNA)
where:
Base-Base interactions energy: -131.147
where: short stacking energy: -64.778
Base-Backbone interact. energy: -0.004
local terms energy: -79.305515
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -16.699
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -18.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -183.090671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.090671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.090671 (E_RNA)
where:
Base-Base interactions energy: -129.410
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.005
local terms energy: -53.675974
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -100.825287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.825287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.825287 (E_RNA)
where:
Base-Base interactions energy: -44.305
where: short stacking energy: -24.634
Base-Backbone interact. energy: -0.019
local terms energy: -56.500728
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -6.457
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: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -94.929017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.929017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.929017 (E_RNA)
where:
Base-Base interactions energy: -38.746
where: short stacking energy: -34.831
Base-Backbone interact. energy: -0.180
local terms energy: -56.003630
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -11.106
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: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -81.863327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.863327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.863327 (E_RNA)
where:
Base-Base interactions energy: -33.479
where: short stacking energy: -24.403
Base-Backbone interact. energy: 0.264
local terms energy: -48.648615
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -1.772
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: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -81.278023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278023 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -30.923
Base-Backbone interact. energy: 0.027
local terms energy: -50.381328
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -3.425
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: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -67.524739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.524739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.524739 (E_RNA)
where:
Base-Base interactions energy: -16.928
where: short stacking energy: -14.675
Base-Backbone interact. energy: -0.307
local terms energy: -50.289823
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -10.364
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -2.787
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -211.925431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.925431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.925431 (E_RNA)
where:
Base-Base interactions energy: -133.972
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.007
local terms energy: -77.947059
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -18.979
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: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -214.790633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.790633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.790633 (E_RNA)
where:
Base-Base interactions energy: -137.998
where: short stacking energy: -71.942
Base-Backbone interact. energy: -0.037
local terms energy: -76.755296
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -20.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -216.271304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.271304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.271304 (E_RNA)
where:
Base-Base interactions energy: -145.871
where: short stacking energy: -66.074
Base-Backbone interact. energy: -0.226
local terms energy: -70.174298
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -14.594
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -182.311031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.311031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.311031 (E_RNA)
where:
Base-Base interactions energy: -113.874
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.662
local terms energy: -67.774586
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -181.620005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.620005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.620005 (E_RNA)
where:
Base-Base interactions energy: -117.426
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.088
local terms energy: -64.105990
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -95.572760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.572760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.572760 (E_RNA)
where:
Base-Base interactions energy: -36.929
where: short stacking energy: -36.673
Base-Backbone interact. energy: -0.012
local terms energy: -58.631853
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -90.787894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.787894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.787894 (E_RNA)
where:
Base-Base interactions energy: -33.740
where: short stacking energy: -29.168
Base-Backbone interact. energy: -0.011
local terms energy: -57.037010
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -4.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -98.633315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.633315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.633315 (E_RNA)
where:
Base-Base interactions energy: -45.066
where: short stacking energy: -28.330
Base-Backbone interact. energy: -1.337
local terms energy: -52.230429
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -78.646330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.646330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.646330 (E_RNA)
where:
Base-Base interactions energy: -29.283
where: short stacking energy: -24.475
Base-Backbone interact. energy: -0.150
local terms energy: -49.212389
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -3.691
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -76.259813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.259813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.259813 (E_RNA)
where:
Base-Base interactions energy: -22.980
where: short stacking energy: -20.566
Base-Backbone interact. energy: -1.610
local terms energy: -51.670136
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.027
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -217.805297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.805297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.805297 (E_RNA)
where:
Base-Base interactions energy: -144.690
where: short stacking energy: -73.692
Base-Backbone interact. energy: -0.033
local terms energy: -73.082351
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -206.128800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.128800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.128800 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.112
local terms energy: -72.557666
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -214.860210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.860210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.860210 (E_RNA)
where:
Base-Base interactions energy: -136.780
where: short stacking energy: -67.109
Base-Backbone interact. energy: -0.486
local terms energy: -77.594008
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -21.725
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: 382
Temperature: 1.050000
Total energy: -209.362052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.362052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.362052 (E_RNA)
where:
Base-Base interactions energy: -133.759
where: short stacking energy: -65.031
Base-Backbone interact. energy: -0.089
local terms energy: -75.514341
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -13.411
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -175.448386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.448386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.448386 (E_RNA)
where:
Base-Base interactions energy: -111.912
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.062
local terms energy: -63.473731
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -105.500851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.500851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.500851 (E_RNA)
where:
Base-Base interactions energy: -50.880
where: short stacking energy: -36.382
Base-Backbone interact. energy: -1.585
local terms energy: -53.035013
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -88.883551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.883551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.883551 (E_RNA)
where:
Base-Base interactions energy: -34.472
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.101
local terms energy: -54.310314
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -10.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -85.128681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.128681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.128681 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -30.055
Base-Backbone interact. energy: -0.354
local terms energy: -50.995133
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -78.396265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.396265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.396265 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -28.073
Base-Backbone interact. energy: -0.081
local terms energy: -47.681760
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -7.511
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: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -87.186879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.186879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.186879 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -34.949
Base-Backbone interact. energy: -0.236
local terms energy: -46.572009
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -2.832
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -225.781914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.781914 (E_RNA)
where:
Base-Base interactions energy: -148.285
where: short stacking energy: -76.447
Base-Backbone interact. energy: -0.063
local terms energy: -77.433400
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -23.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -209.823329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.823329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.823329 (E_RNA)
where:
Base-Base interactions energy: -132.441
where: short stacking energy: -69.553
Base-Backbone interact. energy: -0.975
local terms energy: -76.408138
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -11.953
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: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -220.430511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.430511 (E_RNA)
where:
Base-Base interactions energy: -146.597
where: short stacking energy: -79.500
Base-Backbone interact. energy: -1.042
local terms energy: -72.791733
where:
bonds (distance) C4'-P energy: -9.711
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -23.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -205.437804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.437804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.437804 (E_RNA)
where:
Base-Base interactions energy: -131.887
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.015
local terms energy: -73.535468
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -18.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -201.207489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.207489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.207489 (E_RNA)
where:
Base-Base interactions energy: -129.107
where: short stacking energy: -68.472
Base-Backbone interact. energy: -0.007
local terms energy: -72.094005
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -19.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -113.826887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.826887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.826887 (E_RNA)
where:
Base-Base interactions energy: -49.376
where: short stacking energy: -34.482
Base-Backbone interact. energy: -1.343
local terms energy: -63.107366
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -8.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -82.960744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.960744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.960744 (E_RNA)
where:
Base-Base interactions energy: -31.609
where: short stacking energy: -22.055
Base-Backbone interact. energy: 0.856
local terms energy: -52.207546
where:
bonds (distance) C4'-P energy: -13.630
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -89.137127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.137127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.137127 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.149
local terms energy: -52.089355
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -79.672594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.672594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.672594 (E_RNA)
where:
Base-Base interactions energy: -28.913
where: short stacking energy: -28.913
Base-Backbone interact. energy: -0.260
local terms energy: -50.500306
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -7.422
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: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -83.600092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.600092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.600092 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -16.683
Base-Backbone interact. energy: -0.263
local terms energy: -48.244630
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -219.408232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.408232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.408232 (E_RNA)
where:
Base-Base interactions energy: -139.639
where: short stacking energy: -65.232
Base-Backbone interact. energy: -0.023
local terms energy: -79.746249
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -215.535463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.535463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.535463 (E_RNA)
where:
Base-Base interactions energy: -136.457
where: short stacking energy: -68.350
Base-Backbone interact. energy: -0.010
local terms energy: -79.069147
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -210.793668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.793668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.793668 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -68.085
Base-Backbone interact. energy: -0.693
local terms energy: -80.143174
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -23.139
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: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -214.181412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.181412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.181412 (E_RNA)
where:
Base-Base interactions energy: -139.900
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.029
local terms energy: -74.251997
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -19.805
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: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -196.617408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.617408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617408 (E_RNA)
where:
Base-Base interactions energy: -121.018
where: short stacking energy: -52.276
Base-Backbone interact. energy: -0.008
local terms energy: -75.590949
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -15.519
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: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -104.137673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.137673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.137673 (E_RNA)
where:
Base-Base interactions energy: -50.858
where: short stacking energy: -37.765
Base-Backbone interact. energy: -0.070
local terms energy: -53.209452
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -4.004
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -98.847784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.847784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.847784 (E_RNA)
where:
Base-Base interactions energy: -40.619
where: short stacking energy: -36.678
Base-Backbone interact. energy: -0.282
local terms energy: -57.947472
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -2.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -92.026983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.026983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.026983 (E_RNA)
where:
Base-Base interactions energy: -36.785
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.104
local terms energy: -55.137920
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -6.141
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -80.461754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.461754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.461754 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -22.047
Base-Backbone interact. energy: -0.051
local terms energy: -49.756221
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -6.190
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: 384
Temperature: 1.350000
Total energy: -78.034848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.034848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.034848 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -21.859
Base-Backbone interact. energy: -0.195
local terms energy: -46.241815
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -220.014604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.014604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.014604 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -66.916
Base-Backbone interact. energy: -0.656
local terms energy: -67.711721
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.758
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: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -215.163514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.163514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.163514 (E_RNA)
where:
Base-Base interactions energy: -137.073
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.022
local terms energy: -78.068309
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.523
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: 385
Temperature: 1.000000
Total energy: -189.244744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.244744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.244744 (E_RNA)
where:
Base-Base interactions energy: -120.559
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.021
local terms energy: -68.663943
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -208.457254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.457254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.457254 (E_RNA)
where:
Base-Base interactions energy: -137.362
where: short stacking energy: -69.262
Base-Backbone interact. energy: -0.919
local terms energy: -70.177131
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -20.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -186.377839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.377839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.377839 (E_RNA)
where:
Base-Base interactions energy: -114.120
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.322
local terms energy: -71.936556
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -97.372474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.372474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.372474 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -41.325
Base-Backbone interact. energy: -0.014
local terms energy: -56.033251
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -3.718
tors. eta vs tors. theta energy: -10.376
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: 7, replica: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -178.111002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.111002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.111002 (E_RNA)
where:
Base-Base interactions energy: -109.596
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.005
local terms energy: -68.509790
where:
bonds (distance) C4'-P energy: -7.844
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -112.523659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.523659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.523659 (E_RNA)
where:
Base-Base interactions energy: -63.423
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.201
local terms energy: -48.899530
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -84.275919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.275919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.275919 (E_RNA)
where:
Base-Base interactions energy: -26.044
where: short stacking energy: -26.044
Base-Backbone interact. energy: -0.136
local terms energy: -58.096233
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -3.398
tors. eta vs tors. theta energy: -5.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -79.462790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.462790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.462790 (E_RNA)
where:
Base-Base interactions energy: -30.788
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.260
local terms energy: -48.414590
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -227.470444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.470444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.470444 (E_RNA)
where:
Base-Base interactions energy: -144.257
where: short stacking energy: -78.788
Base-Backbone interact. energy: -0.021
local terms energy: -83.192366
where:
bonds (distance) C4'-P energy: -16.726
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -23.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -221.704796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.704796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.704796 (E_RNA)
where:
Base-Base interactions energy: -143.089
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.089
local terms energy: -78.527125
where:
bonds (distance) C4'-P energy: -10.870
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -226.785686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.785686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.785686 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.343
local terms energy: -78.606700
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -187.987065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.987065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.987065 (E_RNA)
where:
Base-Base interactions energy: -117.552
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.089
local terms energy: -70.346987
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -194.110716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.110716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.110716 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -60.965
Base-Backbone interact. energy: -0.188
local terms energy: -66.436105
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -11.769
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -15.233
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -96.066746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.066746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.066746 (E_RNA)
where:
Base-Base interactions energy: -37.994
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.061
local terms energy: -58.011723
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -5.888
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: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -123.314609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.314609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.314609 (E_RNA)
where:
Base-Base interactions energy: -63.903
where: short stacking energy: -37.104
Base-Backbone interact. energy: -0.235
local terms energy: -59.177461
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -7.458
tors. eta vs tors. theta energy: -10.417
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: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -140.894134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.894134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.894134 (E_RNA)
where:
Base-Base interactions energy: -89.408
where: short stacking energy: -41.077
Base-Backbone interact. energy: 1.815
local terms energy: -53.300547
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -82.127270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.127270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.127270 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -31.659
Base-Backbone interact. energy: 1.280
local terms energy: -51.748520
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -5.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -82.175413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.175413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.175413 (E_RNA)
where:
Base-Base interactions energy: -29.403
where: short stacking energy: -27.446
Base-Backbone interact. energy: 0.384
local terms energy: -53.156499
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -8.499
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -221.578780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.578780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.578780 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.034
local terms energy: -79.591593
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -22.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -226.304037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.304037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.304037 (E_RNA)
where:
Base-Base interactions energy: -147.267
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.570
local terms energy: -78.466117
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -21.555
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: 6
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -219.221391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.221391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.221391 (E_RNA)
where:
Base-Base interactions energy: -144.340
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.016
local terms energy: -74.865607
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -9.656
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: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -204.625620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.625620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.625620 (E_RNA)
where:
Base-Base interactions energy: -133.260
where: short stacking energy: -54.706
Base-Backbone interact. energy: -0.102
local terms energy: -71.263683
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -13.176
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: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -201.313881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.313881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.313881 (E_RNA)
where:
Base-Base interactions energy: -133.716
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.134
local terms energy: -67.464059
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -17.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -119.997158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.997158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.997158 (E_RNA)
where:
Base-Base interactions energy: -71.333
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.726
local terms energy: -47.938416
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: 0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -88.916433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.916433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.916433 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -16.000
Base-Backbone interact. energy: 0.770
local terms energy: -54.671827
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -8.025
flat angles P-C4'-P energy: -11.095
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -105.524138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.524138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.524138 (E_RNA)
where:
Base-Base interactions energy: -58.397
where: short stacking energy: -31.971
Base-Backbone interact. energy: 0.021
local terms energy: -47.148120
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -76.019045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.019045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.019045 (E_RNA)
where:
Base-Base interactions energy: -41.115
where: short stacking energy: -23.286
Base-Backbone interact. energy: 2.771
local terms energy: -37.675014
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: 4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -115.257639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.257639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.257639 (E_RNA)
where:
Base-Base interactions energy: -71.539
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.134
local terms energy: -43.584604
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -10.634
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -4.845
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -223.563277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.563277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.563277 (E_RNA)
where:
Base-Base interactions energy: -145.743
where: short stacking energy: -70.233
Base-Backbone interact. energy: -0.073
local terms energy: -77.746695
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -219.302962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.302962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.302962 (E_RNA)
where:
Base-Base interactions energy: -141.259
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.434
local terms energy: -77.609708
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -19.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -215.011612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.011612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.011612 (E_RNA)
where:
Base-Base interactions energy: -135.138
where: short stacking energy: -71.407
Base-Backbone interact. energy: -0.052
local terms energy: -79.822193
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -20.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -212.623716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.623716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.623716 (E_RNA)
where:
Base-Base interactions energy: -129.654
where: short stacking energy: -64.210
Base-Backbone interact. energy: 0.137
local terms energy: -83.106252
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -190.511766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.511766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.511766 (E_RNA)
where:
Base-Base interactions energy: -119.109
where: short stacking energy: -60.031
Base-Backbone interact. energy: 0.036
local terms energy: -71.438285
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -134.069508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.069508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.069508 (E_RNA)
where:
Base-Base interactions energy: -74.681
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.391
local terms energy: -58.997526
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -4.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -95.308504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.308504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.308504 (E_RNA)
where:
Base-Base interactions energy: -34.156
where: short stacking energy: -34.156
Base-Backbone interact. energy: -0.610
local terms energy: -60.541818
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -83.125181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.125181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.125181 (E_RNA)
where:
Base-Base interactions energy: -28.255
where: short stacking energy: -28.655
Base-Backbone interact. energy: -0.071
local terms energy: -54.799105
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -6.417
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -125.215372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.215372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.215372 (E_RNA)
where:
Base-Base interactions energy: -75.069
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.353
local terms energy: -49.792765
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -82.768634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.768634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.768634 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -31.342
Base-Backbone interact. energy: 1.363
local terms energy: -52.790041
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -7.245
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -222.554063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.554063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.554063 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -72.560
Base-Backbone interact. energy: -0.087
local terms energy: -77.256843
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -22.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -213.891672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.891672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.891672 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -67.976
Base-Backbone interact. energy: -1.609
local terms energy: -77.573787
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -20.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -211.487298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.487298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.487298 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.070
local terms energy: -74.755372
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -197.541975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.541975 (E_RNA)
where:
Base-Base interactions energy: -132.202
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.035
local terms energy: -65.304294
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -190.088061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.088061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.088061 (E_RNA)
where:
Base-Base interactions energy: -118.333
where: short stacking energy: -54.337
Base-Backbone interact. energy: -0.018
local terms energy: -71.736982
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -98.674383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.674383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.674383 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -35.039
Base-Backbone interact. energy: 0.384
local terms energy: -55.927137
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -2.164
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: 7
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -96.279146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.279146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.279146 (E_RNA)
where:
Base-Base interactions energy: -38.284
where: short stacking energy: -37.997
Base-Backbone interact. energy: -0.241
local terms energy: -57.754694
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -15.739
flat angles C4'-P-C4' energy: -9.317
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -104.710653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.710653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.710653 (E_RNA)
where:
Base-Base interactions energy: -55.154
where: short stacking energy: -25.111
Base-Backbone interact. energy: -0.308
local terms energy: -49.248289
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: 2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -71.412892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.412892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.412892 (E_RNA)
where:
Base-Base interactions energy: -20.493
where: short stacking energy: -14.268
Base-Backbone interact. energy: -0.272
local terms energy: -50.647090
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -4.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -71.613544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.613544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.613544 (E_RNA)
where:
Base-Base interactions energy: -27.589
where: short stacking energy: -24.320
Base-Backbone interact. energy: -0.082
local terms energy: -43.943472
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -4.989
tors. eta vs tors. theta energy: -2.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -211.989288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.989288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.989288 (E_RNA)
where:
Base-Base interactions energy: -134.152
where: short stacking energy: -64.757
Base-Backbone interact. energy: -0.162
local terms energy: -77.675333
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -221.121926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.121926 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.605
local terms energy: -70.162243
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -14.289
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: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -186.889525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.889525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.889525 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -54.586
Base-Backbone interact. energy: -0.096
local terms energy: -63.000687
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -189.213018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.213018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.213018 (E_RNA)
where:
Base-Base interactions energy: -115.950
where: short stacking energy: -59.306
Base-Backbone interact. energy: 0.622
local terms energy: -73.885062
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -182.452078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.452078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.452078 (E_RNA)
where:
Base-Base interactions energy: -119.916
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.000
local terms energy: -62.535863
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -101.554279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.554279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.554279 (E_RNA)
where:
Base-Base interactions energy: -48.248
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.006
local terms energy: -53.300578
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -3.835
tors. eta vs tors. theta energy: -10.545
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: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -103.109841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.109841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.109841 (E_RNA)
where:
Base-Base interactions energy: -46.316
where: short stacking energy: -35.892
Base-Backbone interact. energy: -0.028
local terms energy: -56.765788
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -11.541
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -83.038347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.038347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.038347 (E_RNA)
where:
Base-Base interactions energy: -32.342
where: short stacking energy: -27.418
Base-Backbone interact. energy: -0.161
local terms energy: -50.535134
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -101.483288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.483288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.483288 (E_RNA)
where:
Base-Base interactions energy: -47.339
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.143
local terms energy: -54.001780
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -7.653
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: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -80.256600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256600 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -26.771
Base-Backbone interact. energy: -0.287
local terms energy: -43.086680
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -220.159098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.159098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.159098 (E_RNA)
where:
Base-Base interactions energy: -143.523
where: short stacking energy: -70.995
Base-Backbone interact. energy: 0.262
local terms energy: -76.898342
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -23.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -224.889430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.889430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.889430 (E_RNA)
where:
Base-Base interactions energy: -142.797
where: short stacking energy: -73.370
Base-Backbone interact. energy: 0.102
local terms energy: -82.194368
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -21.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -188.755334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.755334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.755334 (E_RNA)
where:
Base-Base interactions energy: -121.960
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.071
local terms energy: -66.725244
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -200.745612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.745612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.745612 (E_RNA)
where:
Base-Base interactions energy: -135.380
where: short stacking energy: -66.376
Base-Backbone interact. energy: -0.064
local terms energy: -65.301377
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -180.345286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.345286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.345286 (E_RNA)
where:
Base-Base interactions energy: -114.730
where: short stacking energy: -50.879
Base-Backbone interact. energy: -0.061
local terms energy: -65.553651
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.855
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -107.901709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.901709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.901709 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -42.437
Base-Backbone interact. energy: -0.003
local terms energy: -65.305992
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -10.061
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -95.323319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.323319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.323319 (E_RNA)
where:
Base-Base interactions energy: -37.623
where: short stacking energy: -29.027
Base-Backbone interact. energy: -0.776
local terms energy: -56.924277
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -11.701
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -4.379
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: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -97.385170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.385170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.385170 (E_RNA)
where:
Base-Base interactions energy: -43.535
where: short stacking energy: -40.972
Base-Backbone interact. energy: -0.051
local terms energy: -53.798409
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -2.424
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -77.401479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.401479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.401479 (E_RNA)
where:
Base-Base interactions energy: -31.907
where: short stacking energy: -29.983
Base-Backbone interact. energy: -0.128
local terms energy: -45.366985
where:
bonds (distance) C4'-P energy: -6.962
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -3.356
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: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -74.528927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.528927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.528927 (E_RNA)
where:
Base-Base interactions energy: -34.921
where: short stacking energy: -22.424
Base-Backbone interact. energy: -0.035
local terms energy: -39.572124
where:
bonds (distance) C4'-P energy: -7.445
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: 1.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -223.600186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.600186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.600186 (E_RNA)
where:
Base-Base interactions energy: -137.740
where: short stacking energy: -64.504
Base-Backbone interact. energy: -0.046
local terms energy: -85.814854
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -217.913606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913606 (E_RNA)
where:
Base-Base interactions energy: -147.669
where: short stacking energy: -74.826
Base-Backbone interact. energy: -0.176
local terms energy: -70.068703
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -203.150759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.150759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.150759 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.050
local terms energy: -75.353942
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -15.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -193.027045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.027045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.027045 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.003
local terms energy: -68.033600
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -20.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -185.704648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.704648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704648 (E_RNA)
where:
Base-Base interactions energy: -121.358
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.030
local terms energy: -64.316634
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -94.474190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474190 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -19.555
Base-Backbone interact. energy: -0.089
local terms energy: -48.243600
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: 2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -93.989315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989315 (E_RNA)
where:
Base-Base interactions energy: -40.393
where: short stacking energy: -30.804
Base-Backbone interact. energy: 0.222
local terms energy: -53.818950
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -6.368
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: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -85.194953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194953 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -24.601
Base-Backbone interact. energy: -0.063
local terms energy: -54.070807
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -101.115075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.115075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.115075 (E_RNA)
where:
Base-Base interactions energy: -60.158
where: short stacking energy: -22.858
Base-Backbone interact. energy: -1.170
local terms energy: -39.787698
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -8.615
flat angles C4'-P-C4' energy: -8.701
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: 0.987
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: 392
Temperature: 1.350000
Total energy: -80.332341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.332341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.332341 (E_RNA)
where:
Base-Base interactions energy: -32.569
where: short stacking energy: -14.293
Base-Backbone interact. energy: -1.476
local terms energy: -46.288076
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.007
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -218.411218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.411218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.411218 (E_RNA)
where:
Base-Base interactions energy: -141.631
where: short stacking energy: -79.664
Base-Backbone interact. energy: 0.710
local terms energy: -77.490368
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -10.839
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -215.088196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.088196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.088196 (E_RNA)
where:
Base-Base interactions energy: -135.636
where: short stacking energy: -68.868
Base-Backbone interact. energy: -0.331
local terms energy: -79.120855
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -22.099
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: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -188.772420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.772420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.772420 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -53.092
Base-Backbone interact. energy: 0.034
local terms energy: -66.454509
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -17.276
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: 4, replica: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -201.047053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.047053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.047053 (E_RNA)
where:
Base-Base interactions energy: -129.499
where: short stacking energy: -63.179
Base-Backbone interact. energy: -0.179
local terms energy: -71.369402
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -18.698
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: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -171.592824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.592824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.592824 (E_RNA)
where:
Base-Base interactions energy: -117.212
where: short stacking energy: -52.385
Base-Backbone interact. energy: -0.061
local terms energy: -54.320410
where:
bonds (distance) C4'-P energy: -10.332
bonds (distance) P-C4' energy: -8.394
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -101.597466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.597466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.597466 (E_RNA)
where:
Base-Base interactions energy: -50.683
where: short stacking energy: -38.938
Base-Backbone interact. energy: -0.549
local terms energy: -50.366223
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: 0.575
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -90.312871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.312871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.312871 (E_RNA)
where:
Base-Base interactions energy: -37.423
where: short stacking energy: -20.806
Base-Backbone interact. energy: -0.414
local terms energy: -52.475563
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -84.822420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.822420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.822420 (E_RNA)
where:
Base-Base interactions energy: -28.141
where: short stacking energy: -22.082
Base-Backbone interact. energy: -0.471
local terms energy: -56.210396
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -6.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -77.440828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.440828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.440828 (E_RNA)
where:
Base-Base interactions energy: -27.944
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.133
local terms energy: -49.363646
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -9.506
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -78.479424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.479424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.479424 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -26.435
Base-Backbone interact. energy: -0.067
local terms energy: -50.672831
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -12.799
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -0.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -228.369342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.369342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.369342 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -74.092
Base-Backbone interact. energy: -0.026
local terms energy: -78.583196
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.041
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -212.698893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.698893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.698893 (E_RNA)
where:
Base-Base interactions energy: -143.819
where: short stacking energy: -62.360
Base-Backbone interact. energy: 1.847
local terms energy: -70.727206
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -216.122194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.122194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.122194 (E_RNA)
where:
Base-Base interactions energy: -141.093
where: short stacking energy: -73.425
Base-Backbone interact. energy: -0.025
local terms energy: -75.003960
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -181.259825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.259825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.259825 (E_RNA)
where:
Base-Base interactions energy: -112.338
where: short stacking energy: -63.057
Base-Backbone interact. energy: -0.065
local terms energy: -68.856810
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -187.761856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.761856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.761856 (E_RNA)
where:
Base-Base interactions energy: -111.297
where: short stacking energy: -52.561
Base-Backbone interact. energy: -0.797
local terms energy: -75.667675
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -16.782
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: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -96.156140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.156140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.156140 (E_RNA)
where:
Base-Base interactions energy: -40.563
where: short stacking energy: -36.216
Base-Backbone interact. energy: -0.055
local terms energy: -55.538519
where:
bonds (distance) C4'-P energy: -11.500
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -86.351973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.351973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.351973 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.987
local terms energy: -51.287936
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -83.565226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.565226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.565226 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -26.218
Base-Backbone interact. energy: -0.665
local terms energy: -52.425860
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -2.253
tors. eta vs tors. theta energy: -5.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -88.088554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.088554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.088554 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -34.318
Base-Backbone interact. energy: -0.147
local terms energy: -52.854222
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -80.033027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.033027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.033027 (E_RNA)
where:
Base-Base interactions energy: -32.597
where: short stacking energy: -22.123
Base-Backbone interact. energy: -0.118
local terms energy: -47.318114
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -13.313
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -219.503957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.503957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.503957 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -65.607
Base-Backbone interact. energy: -0.096
local terms energy: -76.492137
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -18.360
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: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -215.045334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.045334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.045334 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -70.983
Base-Backbone interact. energy: -0.031
local terms energy: -74.595316
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -17.554
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: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -209.982736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.982736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.982736 (E_RNA)
where:
Base-Base interactions energy: -133.268
where: short stacking energy: -67.724
Base-Backbone interact. energy: -0.101
local terms energy: -76.613730
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -22.076
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: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -199.517458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.517458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.517458 (E_RNA)
where:
Base-Base interactions energy: -125.116
where: short stacking energy: -50.609
Base-Backbone interact. energy: -0.289
local terms energy: -74.112330
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -14.417
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -162.323850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.323850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.323850 (E_RNA)
where:
Base-Base interactions energy: -97.483
where: short stacking energy: -55.592
Base-Backbone interact. energy: 0.645
local terms energy: -65.485543
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -98.360438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.360438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.360438 (E_RNA)
where:
Base-Base interactions energy: -42.487
where: short stacking energy: -42.487
Base-Backbone interact. energy: -0.240
local terms energy: -55.633326
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -91.255214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.255214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.255214 (E_RNA)
where:
Base-Base interactions energy: -43.235
where: short stacking energy: -25.693
Base-Backbone interact. energy: 1.991
local terms energy: -50.011270
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -1.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -85.400743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400743 (E_RNA)
where:
Base-Base interactions energy: -32.236
where: short stacking energy: -21.583
Base-Backbone interact. energy: 2.716
local terms energy: -55.879900
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -80.886597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.886597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.886597 (E_RNA)
where:
Base-Base interactions energy: -32.216
where: short stacking energy: -23.951
Base-Backbone interact. energy: -0.519
local terms energy: -48.150796
where:
bonds (distance) C4'-P energy: -8.581
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -7.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -79.521667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.521667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.521667 (E_RNA)
where:
Base-Base interactions energy: -28.899
where: short stacking energy: -12.041
Base-Backbone interact. energy: 0.323
local terms energy: -50.945801
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -2.941
tors. eta vs tors. theta energy: -1.724
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -221.285144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.285144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.285144 (E_RNA)
where:
Base-Base interactions energy: -143.164
where: short stacking energy: -74.798
Base-Backbone interact. energy: -0.692
local terms energy: -77.429363
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -222.914705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.914705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.914705 (E_RNA)
where:
Base-Base interactions energy: -144.911
where: short stacking energy: -73.347
Base-Backbone interact. energy: 0.240
local terms energy: -78.244387
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -219.501523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501523 (E_RNA)
where:
Base-Base interactions energy: -141.232
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.240
local terms energy: -78.029971
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -21.248
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: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -206.767840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.767840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.767840 (E_RNA)
where:
Base-Base interactions energy: -134.974
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.084
local terms energy: -71.709555
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -17.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -140.476042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.476042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.476042 (E_RNA)
where:
Base-Base interactions energy: -82.251
where: short stacking energy: -47.644
Base-Backbone interact. energy: 0.799
local terms energy: -59.024545
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -9.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -100.780184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.780184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.780184 (E_RNA)
where:
Base-Base interactions energy: -45.664
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.094
local terms energy: -55.021756
where:
bonds (distance) C4'-P energy: -13.932
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -8.563
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: 7, replica: 7
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -105.529800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.529800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.529800 (E_RNA)
where:
Base-Base interactions energy: -55.708
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.317
local terms energy: -49.504563
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -1.353
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: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -90.681797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.681797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.681797 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.191
local terms energy: -59.901644
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -90.901743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.901743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.901743 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -29.200
Base-Backbone interact. energy: 1.305
local terms energy: -61.543819
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -12.923
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -78.336751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.336751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.336751 (E_RNA)
where:
Base-Base interactions energy: -28.214
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.443
local terms energy: -49.679696
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -1.434
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -224.365341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.365341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.365341 (E_RNA)
where:
Base-Base interactions energy: -142.883
where: short stacking energy: -78.563
Base-Backbone interact. energy: 0.000
local terms energy: -81.482433
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -8.720
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: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -216.544413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544413 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.504
local terms energy: -80.509623
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -208.930058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.930058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.930058 (E_RNA)
where:
Base-Base interactions energy: -135.188
where: short stacking energy: -72.921
Base-Backbone interact. energy: -0.027
local terms energy: -73.715141
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -12.985
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: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -200.762802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.762802 (E_RNA)
where:
Base-Base interactions energy: -118.349
where: short stacking energy: -58.337
Base-Backbone interact. energy: -0.042
local terms energy: -82.371484
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -149.250597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.250597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.250597 (E_RNA)
where:
Base-Base interactions energy: -90.633
where: short stacking energy: -41.180
Base-Backbone interact. energy: -0.357
local terms energy: -58.260665
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -6.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -104.829951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.829951 (E_RNA)
where:
Base-Base interactions energy: -49.670
where: short stacking energy: -35.613
Base-Backbone interact. energy: -0.129
local terms energy: -55.031134
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -102.848993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.848993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.848993 (E_RNA)
where:
Base-Base interactions energy: -45.158
where: short stacking energy: -45.158
Base-Backbone interact. energy: -0.085
local terms energy: -57.606693
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -6.127
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -94.590838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.590838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.590838 (E_RNA)
where:
Base-Base interactions energy: -38.423
where: short stacking energy: -38.423
Base-Backbone interact. energy: -0.081
local terms energy: -56.087032
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -4.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -74.424361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.424361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.424361 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -27.298
Base-Backbone interact. energy: -0.047
local terms energy: -47.078771
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -8.157
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: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -85.801458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801458 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.236
local terms energy: -52.761996
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.064
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -226.183630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.183630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.183630 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.039
local terms energy: -85.870026
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -211.576202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.576202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.576202 (E_RNA)
where:
Base-Base interactions energy: -135.612
where: short stacking energy: -73.234
Base-Backbone interact. energy: -0.006
local terms energy: -75.958312
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -20.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -204.341395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.341395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.341395 (E_RNA)
where:
Base-Base interactions energy: -125.713
where: short stacking energy: -69.750
Base-Backbone interact. energy: -0.336
local terms energy: -78.292022
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -22.930
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: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -209.354081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.354081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.354081 (E_RNA)
where:
Base-Base interactions energy: -138.074
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.025
local terms energy: -71.255472
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -147.895303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.895303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.895303 (E_RNA)
where:
Base-Base interactions energy: -83.919
where: short stacking energy: -51.278
Base-Backbone interact. energy: 0.026
local terms energy: -64.002385
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -16.346
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -104.325839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.325839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.325839 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -42.511
Base-Backbone interact. energy: -0.134
local terms energy: -61.680370
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -117.095951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.095951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.095951 (E_RNA)
where:
Base-Base interactions energy: -66.293
where: short stacking energy: -44.024
Base-Backbone interact. energy: -0.432
local terms energy: -50.371013
where:
bonds (distance) C4'-P energy: -8.311
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -10.901
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: 1
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -89.344721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.344721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.344721 (E_RNA)
where:
Base-Base interactions energy: -33.461
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.290
local terms energy: -55.593433
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -7.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -81.105904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.105904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.105904 (E_RNA)
where:
Base-Base interactions energy: -29.686
where: short stacking energy: -29.686
Base-Backbone interact. energy: -0.089
local terms energy: -51.330590
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -3.671
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: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -85.990351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990351 (E_RNA)
where:
Base-Base interactions energy: -34.786
where: short stacking energy: -34.555
Base-Backbone interact. energy: 0.914
local terms energy: -52.117798
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -218.429219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.429219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.429219 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -69.645
Base-Backbone interact. energy: -1.404
local terms energy: -80.231953
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -11.746
tors. eta vs tors. theta energy: -19.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -203.726329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726329 (E_RNA)
where:
Base-Base interactions energy: -133.004
where: short stacking energy: -71.236
Base-Backbone interact. energy: -0.005
local terms energy: -70.717308
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -212.634612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.634612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634612 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -67.863
Base-Backbone interact. energy: -0.129
local terms energy: -76.212843
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.252
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: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -210.857843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.857843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.857843 (E_RNA)
where:
Base-Base interactions energy: -139.365
where: short stacking energy: -66.622
Base-Backbone interact. energy: -0.587
local terms energy: -70.904878
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -15.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -163.014425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.014425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.014425 (E_RNA)
where:
Base-Base interactions energy: -104.277
where: short stacking energy: -57.410
Base-Backbone interact. energy: 0.106
local terms energy: -58.843927
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -92.143605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.143605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.143605 (E_RNA)
where:
Base-Base interactions energy: -37.087
where: short stacking energy: -29.284
Base-Backbone interact. energy: -0.229
local terms energy: -54.828136
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -101.079731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.079731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.079731 (E_RNA)
where:
Base-Base interactions energy: -56.302
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.258
local terms energy: -44.519758
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -2.046
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -85.037395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037395 (E_RNA)
where:
Base-Base interactions energy: -36.672
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.172
local terms energy: -48.192588
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -99.070743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.070743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.070743 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -42.828
Base-Backbone interact. energy: -0.097
local terms energy: -56.145564
where:
bonds (distance) C4'-P energy: -7.317
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -9.671
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: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -77.078245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078245 (E_RNA)
where:
Base-Base interactions energy: -30.983
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.395
local terms energy: -45.700762
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -1.754
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -220.636221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.636221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.636221 (E_RNA)
where:
Base-Base interactions energy: -139.603
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.092
local terms energy: -80.941192
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -22.431
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: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -208.867359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.867359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.867359 (E_RNA)
where:
Base-Base interactions energy: -132.180
where: short stacking energy: -72.861
Base-Backbone interact. energy: -0.001
local terms energy: -76.686436
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -215.882342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.882342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.882342 (E_RNA)
where:
Base-Base interactions energy: -139.287
where: short stacking energy: -67.605
Base-Backbone interact. energy: -0.042
local terms energy: -76.553109
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -194.180705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.180705 (E_RNA)
where:
Base-Base interactions energy: -120.653
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.259
local terms energy: -73.268759
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -19.498
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -198.838690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.838690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.838690 (E_RNA)
where:
Base-Base interactions energy: -126.317
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.203
local terms energy: -72.318714
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -93.613103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.613103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.613103 (E_RNA)
where:
Base-Base interactions energy: -35.803
where: short stacking energy: -35.803
Base-Backbone interact. energy: -0.156
local terms energy: -57.653592
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -96.803753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.803753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.803753 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -40.500
Base-Backbone interact. energy: -0.317
local terms energy: -55.986959
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -81.704814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.704814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.704814 (E_RNA)
where:
Base-Base interactions energy: -38.316
where: short stacking energy: -22.130
Base-Backbone interact. energy: -0.421
local terms energy: -42.967889
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: 1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -84.032992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032992 (E_RNA)
where:
Base-Base interactions energy: -37.460
where: short stacking energy: -27.189
Base-Backbone interact. energy: -2.309
local terms energy: -44.264543
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -5.074
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: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -78.606378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.606378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.606378 (E_RNA)
where:
Base-Base interactions energy: -24.596
where: short stacking energy: -17.004
Base-Backbone interact. energy: -0.131
local terms energy: -53.879570
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -13.923
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -214.812068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.812068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.812068 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.418
local terms energy: -81.620002
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -220.660709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.660709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.660709 (E_RNA)
where:
Base-Base interactions energy: -140.525
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.029
local terms energy: -80.107016
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -9.127
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: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -206.900915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.900915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.900915 (E_RNA)
where:
Base-Base interactions energy: -129.891
where: short stacking energy: -73.077
Base-Backbone interact. energy: -0.014
local terms energy: -76.995542
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -198.294926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.294926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.294926 (E_RNA)
where:
Base-Base interactions energy: -126.642
where: short stacking energy: -65.982
Base-Backbone interact. energy: -0.016
local terms energy: -71.637633
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -16.171
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: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -182.989061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.989061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.989061 (E_RNA)
where:
Base-Base interactions energy: -112.488
where: short stacking energy: -52.145
Base-Backbone interact. energy: -0.576
local terms energy: -69.925306
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -93.786930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.786930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.786930 (E_RNA)
where:
Base-Base interactions energy: -35.358
where: short stacking energy: -35.358
Base-Backbone interact. energy: -0.104
local terms energy: -58.325016
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -5.099
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: 8
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -83.908459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.908459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.908459 (E_RNA)
where:
Base-Base interactions energy: -31.395
where: short stacking energy: -28.587
Base-Backbone interact. energy: -0.105
local terms energy: -52.408250
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: 0.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -80.910019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.910019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.910019 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -33.447
Base-Backbone interact. energy: -0.041
local terms energy: -46.015040
where:
bonds (distance) C4'-P energy: -7.918
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -3.603
tors. eta vs tors. theta energy: -7.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -74.083265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.083265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.083265 (E_RNA)
where:
Base-Base interactions energy: -22.754
where: short stacking energy: -19.973
Base-Backbone interact. energy: 2.070
local terms energy: -53.399692
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -91.648059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.648059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.648059 (E_RNA)
where:
Base-Base interactions energy: -54.974
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.576
local terms energy: -36.097913
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -7.446
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -3.621
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -223.276218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.276218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.276218 (E_RNA)
where:
Base-Base interactions energy: -147.353
where: short stacking energy: -75.013
Base-Backbone interact. energy: 1.225
local terms energy: -77.148559
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -11.210
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: 2, replica: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -211.730476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.730476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.730476 (E_RNA)
where:
Base-Base interactions energy: -142.246
where: short stacking energy: -68.762
Base-Backbone interact. energy: -0.013
local terms energy: -69.470965
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -208.456756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.456756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.456756 (E_RNA)
where:
Base-Base interactions energy: -139.352
where: short stacking energy: -66.872
Base-Backbone interact. energy: -0.010
local terms energy: -69.094613
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -10.796
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: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -181.502320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.502320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.502320 (E_RNA)
where:
Base-Base interactions energy: -114.345
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.488
local terms energy: -66.669442
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -175.904946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.904946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.904946 (E_RNA)
where:
Base-Base interactions energy: -102.453
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.088
local terms energy: -73.364344
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -94.015237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015237 (E_RNA)
where:
Base-Base interactions energy: -37.650
where: short stacking energy: -18.792
Base-Backbone interact. energy: 1.736
local terms energy: -58.101647
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -3.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -94.418226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.418226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.418226 (E_RNA)
where:
Base-Base interactions energy: -38.330
where: short stacking energy: -34.328
Base-Backbone interact. energy: 0.522
local terms energy: -56.610590
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -85.247110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.247110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.247110 (E_RNA)
where:
Base-Base interactions energy: -32.733
where: short stacking energy: -28.955
Base-Backbone interact. energy: 0.850
local terms energy: -53.364773
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -4.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -93.329065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.329065 (E_RNA)
where:
Base-Base interactions energy: -50.217
where: short stacking energy: -35.814
Base-Backbone interact. energy: -0.265
local terms energy: -42.846735
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -76.226049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226049 (E_RNA)
where:
Base-Base interactions energy: -33.039
where: short stacking energy: -32.330
Base-Backbone interact. energy: -0.154
local terms energy: -43.032548
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -14.059
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -8.203
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -225.956673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.956673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.956673 (E_RNA)
where:
Base-Base interactions energy: -151.741
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.029
local terms energy: -74.186733
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -216.313696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.313696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.313696 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.003
local terms energy: -74.678226
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -21.468
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: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -211.653241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.653241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.653241 (E_RNA)
where:
Base-Base interactions energy: -132.048
where: short stacking energy: -63.549
Base-Backbone interact. energy: -0.004
local terms energy: -79.601205
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -14.042
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -181.130743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.130743 (E_RNA)
where:
Base-Base interactions energy: -117.333
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.573
local terms energy: -63.224183
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -17.059
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: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -178.430910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.430910 (E_RNA)
where:
Base-Base interactions energy: -115.093
where: short stacking energy: -51.317
Base-Backbone interact. energy: -0.302
local terms energy: -63.035687
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -14.004
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: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -89.471805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471805 (E_RNA)
where:
Base-Base interactions energy: -44.219
where: short stacking energy: -19.239
Base-Backbone interact. energy: -2.062
local terms energy: -43.191073
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -111.893073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.893073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.893073 (E_RNA)
where:
Base-Base interactions energy: -59.673
where: short stacking energy: -38.136
Base-Backbone interact. energy: 0.620
local terms energy: -52.840084
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -13.087
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -2.572
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -94.960541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.960541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.960541 (E_RNA)
where:
Base-Base interactions energy: -45.164
where: short stacking energy: -35.614
Base-Backbone interact. energy: -0.389
local terms energy: -49.408285
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -86.933490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.933490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.933490 (E_RNA)
where:
Base-Base interactions energy: -38.498
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.012
local terms energy: -48.422618
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -81.833806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.833806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.833806 (E_RNA)
where:
Base-Base interactions energy: -33.620
where: short stacking energy: -33.820
Base-Backbone interact. energy: 1.269
local terms energy: -49.482598
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -3.298
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -221.726707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.726707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.726707 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.018
local terms energy: -81.131785
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -22.154
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: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -217.955974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.955974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.955974 (E_RNA)
where:
Base-Base interactions energy: -143.566
where: short stacking energy: -74.789
Base-Backbone interact. energy: -0.163
local terms energy: -74.226137
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -202.519306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.519306 (E_RNA)
where:
Base-Base interactions energy: -136.375
where: short stacking energy: -65.493
Base-Backbone interact. energy: -0.041
local terms energy: -66.103020
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -10.473
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -193.744926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.744926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.744926 (E_RNA)
where:
Base-Base interactions energy: -126.125
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.295
local terms energy: -67.325017
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -202.702171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.702171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.702171 (E_RNA)
where:
Base-Base interactions energy: -131.899
where: short stacking energy: -55.168
Base-Backbone interact. energy: -0.062
local terms energy: -70.741343
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -15.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -92.679427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679427 (E_RNA)
where:
Base-Base interactions energy: -38.908
where: short stacking energy: -34.049
Base-Backbone interact. energy: 1.642
local terms energy: -55.413468
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -15.444
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -0.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -84.789633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.789633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.789633 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.225
local terms energy: -45.804890
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -1.471
tors. eta vs tors. theta energy: -0.908
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: 8, replica: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -83.191292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191292 (E_RNA)
where:
Base-Base interactions energy: -34.409
where: short stacking energy: -22.262
Base-Backbone interact. energy: -0.627
local terms energy: -48.155717
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -9.394
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -0.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -74.208596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.208596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.208596 (E_RNA)
where:
Base-Base interactions energy: -26.629
where: short stacking energy: -25.317
Base-Backbone interact. energy: -2.446
local terms energy: -45.133827
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -69.159190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.159190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.159190 (E_RNA)
where:
Base-Base interactions energy: -18.008
where: short stacking energy: -15.279
Base-Backbone interact. energy: -0.981
local terms energy: -50.170207
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -0.148
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -222.386285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.386285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.386285 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -76.840
Base-Backbone interact. energy: -0.407
local terms energy: -78.180438
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -210.479408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.479408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.479408 (E_RNA)
where:
Base-Base interactions energy: -136.374
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.704
local terms energy: -73.401278
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -20.150
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: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -190.810355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.810355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.810355 (E_RNA)
where:
Base-Base interactions energy: -126.057
where: short stacking energy: -51.115
Base-Backbone interact. energy: 0.619
local terms energy: -65.373245
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -212.134714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.134714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.134714 (E_RNA)
where:
Base-Base interactions energy: -135.099
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.007
local terms energy: -77.028930
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -198.427435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427435 (E_RNA)
where:
Base-Base interactions energy: -128.662
where: short stacking energy: -68.526
Base-Backbone interact. energy: -0.003
local terms energy: -69.761743
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.125
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -96.578138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.578138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.578138 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -38.332
Base-Backbone interact. energy: -0.021
local terms energy: -55.069372
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -5.094
tors. eta vs tors. theta energy: -7.466
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: 405
Temperature: 1.200000
Total energy: -94.080501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.080501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.080501 (E_RNA)
where:
Base-Base interactions energy: -48.543
where: short stacking energy: -12.096
Base-Backbone interact. energy: -0.326
local terms energy: -45.210568
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: 4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -82.602416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.602416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.602416 (E_RNA)
where:
Base-Base interactions energy: -31.138
where: short stacking energy: -30.601
Base-Backbone interact. energy: 0.134
local terms energy: -51.598552
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -87.712058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712058 (E_RNA)
where:
Base-Base interactions energy: -32.524
where: short stacking energy: -17.963
Base-Backbone interact. energy: -0.122
local terms energy: -55.066414
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -75.602680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.602680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.602680 (E_RNA)
where:
Base-Base interactions energy: -25.633
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.513
local terms energy: -49.457469
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -1.643
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -211.609294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.609294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.609294 (E_RNA)
where:
Base-Base interactions energy: -133.648
where: short stacking energy: -61.851
Base-Backbone interact. energy: -0.064
local terms energy: -77.897775
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.106
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: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -216.700554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.700554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.700554 (E_RNA)
where:
Base-Base interactions energy: -136.430
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.962
local terms energy: -79.309297
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -13.757
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: 3, replica: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -214.612969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.612969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.612969 (E_RNA)
where:
Base-Base interactions energy: -137.337
where: short stacking energy: -69.937
Base-Backbone interact. energy: -1.368
local terms energy: -75.907624
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -211.069704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.069704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.069704 (E_RNA)
where:
Base-Base interactions energy: -134.905
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.033
local terms energy: -76.131368
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -204.494650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.494650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.494650 (E_RNA)
where:
Base-Base interactions energy: -125.582
where: short stacking energy: -71.777
Base-Backbone interact. energy: -0.801
local terms energy: -78.112179
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -98.950662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.950662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.950662 (E_RNA)
where:
Base-Base interactions energy: -45.565
where: short stacking energy: -32.671
Base-Backbone interact. energy: -0.100
local terms energy: -53.286173
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -15.520
flat angles P-C4'-P energy: -3.606
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -90.231354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.231354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.231354 (E_RNA)
where:
Base-Base interactions energy: -30.697
where: short stacking energy: -28.744
Base-Backbone interact. energy: -0.132
local terms energy: -59.401866
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -2.237
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -83.465107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.465107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.465107 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -30.608
Base-Backbone interact. energy: -0.393
local terms energy: -51.163772
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -10.170
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -79.402382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.402382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.402382 (E_RNA)
where:
Base-Base interactions energy: -28.669
where: short stacking energy: -25.054
Base-Backbone interact. energy: -0.079
local terms energy: -50.654911
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -2.486
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: 406
Temperature: 1.350000
Total energy: -76.690929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.690929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.690929 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.154
local terms energy: -45.511380
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -6.883
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -218.686551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.686551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.686551 (E_RNA)
where:
Base-Base interactions energy: -139.198
where: short stacking energy: -71.233
Base-Backbone interact. energy: -0.025
local terms energy: -79.463259
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -217.114907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.114907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.114907 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.081
local terms energy: -77.812699
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -221.874127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.874127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.874127 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -75.997
Base-Backbone interact. energy: -0.054
local terms energy: -79.869643
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -194.951560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.951560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.951560 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -63.333
Base-Backbone interact. energy: -0.101
local terms energy: -64.721504
where:
bonds (distance) C4'-P energy: -10.349
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -196.000111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.000111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.000111 (E_RNA)
where:
Base-Base interactions energy: -124.897
where: short stacking energy: -63.869
Base-Backbone interact. energy: -0.039
local terms energy: -71.064277
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -15.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -87.668850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.668850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.668850 (E_RNA)
where:
Base-Base interactions energy: -31.948
where: short stacking energy: -15.675
Base-Backbone interact. energy: -0.126
local terms energy: -55.594171
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -81.269200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.269200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.269200 (E_RNA)
where:
Base-Base interactions energy: -29.246
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.396
local terms energy: -51.627914
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -5.069
tors. eta vs tors. theta energy: -3.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -85.965305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.965305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.965305 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.124
local terms energy: -48.653750
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -95.814420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.814420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.814420 (E_RNA)
where:
Base-Base interactions energy: -49.185
where: short stacking energy: -34.962
Base-Backbone interact. energy: -0.090
local terms energy: -46.538960
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -9.140
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -71.978992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.978992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.978992 (E_RNA)
where:
Base-Base interactions energy: -24.213
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.273
local terms energy: -47.492786
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: 3.253
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -222.920425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.920425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.920425 (E_RNA)
where:
Base-Base interactions energy: -145.465
where: short stacking energy: -71.846
Base-Backbone interact. energy: -0.099
local terms energy: -77.356540
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -205.805046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.805046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.805046 (E_RNA)
where:
Base-Base interactions energy: -128.036
where: short stacking energy: -69.954
Base-Backbone interact. energy: -0.014
local terms energy: -77.755039
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -13.668
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -211.605977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.605977 (E_RNA)
where:
Base-Base interactions energy: -140.640
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.019
local terms energy: -70.947439
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -184.943506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.943506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.943506 (E_RNA)
where:
Base-Base interactions energy: -110.015
where: short stacking energy: -54.121
Base-Backbone interact. energy: -0.002
local terms energy: -74.926203
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -189.174205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.174205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.174205 (E_RNA)
where:
Base-Base interactions energy: -114.574
where: short stacking energy: -55.893
Base-Backbone interact. energy: -0.000
local terms energy: -74.599509
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -103.681068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.681068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.681068 (E_RNA)
where:
Base-Base interactions energy: -53.668
where: short stacking energy: -43.794
Base-Backbone interact. energy: 0.797
local terms energy: -50.809460
where:
bonds (distance) C4'-P energy: -10.258
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -13.117
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: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -83.857728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.857728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.857728 (E_RNA)
where:
Base-Base interactions energy: -25.398
where: short stacking energy: -23.378
Base-Backbone interact. energy: -1.378
local terms energy: -57.081590
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -90.144942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.144942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.144942 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -31.967
Base-Backbone interact. energy: -0.058
local terms energy: -57.449700
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -78.306710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.306710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.306710 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -27.170
Base-Backbone interact. energy: -0.045
local terms energy: -50.665175
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -11.218
flat angles P-C4'-P energy: -5.580
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: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -66.416957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.416957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.416957 (E_RNA)
where:
Base-Base interactions energy: -18.519
where: short stacking energy: -17.499
Base-Backbone interact. energy: -1.125
local terms energy: -46.772728
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -4.334
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -226.616349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616349 (E_RNA)
where:
Base-Base interactions energy: -142.285
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.024
local terms energy: -84.307246
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -14.349
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -208.404915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.404915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.404915 (E_RNA)
where:
Base-Base interactions energy: -130.218
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.036
local terms energy: -78.151461
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -210.093467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.093467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.093467 (E_RNA)
where:
Base-Base interactions energy: -140.019
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.004
local terms energy: -70.070851
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -198.369359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.369359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.369359 (E_RNA)
where:
Base-Base interactions energy: -128.993
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.001
local terms energy: -69.374933
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -9.293
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -20.258
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: 409
Temperature: 1.100000
Total energy: -194.120153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120153 (E_RNA)
where:
Base-Base interactions energy: -117.102
where: short stacking energy: -57.147
Base-Backbone interact. energy: -0.100
local terms energy: -76.917916
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -10.541
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: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -118.009727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.009727 (E_RNA)
where:
Base-Base interactions energy: -61.696
where: short stacking energy: -37.076
Base-Backbone interact. energy: -0.026
local terms energy: -56.287294
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -90.709427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.709427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.709427 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -22.141
Base-Backbone interact. energy: -0.107
local terms energy: -50.102735
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -9.256
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -93.861056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861056 (E_RNA)
where:
Base-Base interactions energy: -41.877
where: short stacking energy: -41.877
Base-Backbone interact. energy: -0.056
local terms energy: -51.927925
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -9.731
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: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -68.384806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.384806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.384806 (E_RNA)
where:
Base-Base interactions energy: -25.063
where: short stacking energy: -17.267
Base-Backbone interact. energy: -0.098
local terms energy: -43.223915
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -8.911
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: 1.190
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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.288686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.288686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.288686 (E_RNA)
where:
Base-Base interactions energy: -23.901
where: short stacking energy: -20.523
Base-Backbone interact. energy: -0.023
local terms energy: -53.364720
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -1.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -225.338347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.338347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.338347 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.031
local terms energy: -80.156348
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -20.335
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: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -214.961467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.961467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.961467 (E_RNA)
where:
Base-Base interactions energy: -143.804
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.621
local terms energy: -70.536522
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -209.690504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.690504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.690504 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -64.785
Base-Backbone interact. energy: -2.244
local terms energy: -78.191308
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -7.970
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -197.713681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.713681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.713681 (E_RNA)
where:
Base-Base interactions energy: -128.521
where: short stacking energy: -62.329
Base-Backbone interact. energy: -0.018
local terms energy: -69.173719
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -16.293
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: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -186.612646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.612646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.612646 (E_RNA)
where:
Base-Base interactions energy: -116.668
where: short stacking energy: -55.531
Base-Backbone interact. energy: -1.143
local terms energy: -68.801778
where:
bonds (distance) C4'-P energy: -8.998
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -18.221
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: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -95.302215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.302215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.302215 (E_RNA)
where:
Base-Base interactions energy: -36.222
where: short stacking energy: -29.204
Base-Backbone interact. energy: -0.028
local terms energy: -59.052199
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -93.802885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.802885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.802885 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.119
local terms energy: -54.664640
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -7.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -89.824392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.824392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.824392 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -32.261
Base-Backbone interact. energy: 0.727
local terms energy: -56.921340
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -75.145345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.145345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.145345 (E_RNA)
where:
Base-Base interactions energy: -33.424
where: short stacking energy: -32.680
Base-Backbone interact. energy: -0.402
local terms energy: -41.319022
where:
bonds (distance) C4'-P energy: -6.030
bonds (distance) P-C4' energy: -12.467
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -88.710857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.710857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.710857 (E_RNA)
where:
Base-Base interactions energy: -39.798
where: short stacking energy: -39.798
Base-Backbone interact. energy: 2.126
local terms energy: -51.038949
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -8.830
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -217.481392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.481392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.481392 (E_RNA)
where:
Base-Base interactions energy: -137.795
where: short stacking energy: -64.336
Base-Backbone interact. energy: 3.407
local terms energy: -83.092890
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -221.717873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.717873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.717873 (E_RNA)
where:
Base-Base interactions energy: -145.214
where: short stacking energy: -71.446
Base-Backbone interact. energy: -0.009
local terms energy: -76.495190
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -210.052802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.052802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.052802 (E_RNA)
where:
Base-Base interactions energy: -131.589
where: short stacking energy: -63.161
Base-Backbone interact. energy: -0.079
local terms energy: -78.384391
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -194.703620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.703620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.703620 (E_RNA)
where:
Base-Base interactions energy: -126.381
where: short stacking energy: -60.634
Base-Backbone interact. energy: -0.038
local terms energy: -68.284790
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -174.353862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.353862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.353862 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.129
local terms energy: -66.242999
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -14.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -106.951061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.951061 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -37.849
Base-Backbone interact. energy: 0.213
local terms energy: -63.993993
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -9.596
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: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -87.029568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.029568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.029568 (E_RNA)
where:
Base-Base interactions energy: -46.726
where: short stacking energy: -22.995
Base-Backbone interact. energy: -0.523
local terms energy: -39.780308
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: 0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -83.492390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492390 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -25.871
Base-Backbone interact. energy: -0.100
local terms energy: -55.601692
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -6.888
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: 411
Temperature: 1.300000
Total energy: -92.804220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.804220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.804220 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -36.316
Base-Backbone interact. energy: -0.255
local terms energy: -51.144306
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -7.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -74.803925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.803925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.803925 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.078
local terms energy: -38.578098
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -220.511028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.511028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.511028 (E_RNA)
where:
Base-Base interactions energy: -142.016
where: short stacking energy: -74.090
Base-Backbone interact. energy: -0.003
local terms energy: -78.492530
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -24.015
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: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -218.045308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.045308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.045308 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.070
local terms energy: -76.668091
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -12.680
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -205.135591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.135591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.135591 (E_RNA)
where:
Base-Base interactions energy: -129.243
where: short stacking energy: -62.527
Base-Backbone interact. energy: -0.139
local terms energy: -75.753776
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -17.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -192.821231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.821231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.821231 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.086
local terms energy: -64.939138
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.908
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -19.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -190.318953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.318953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.318953 (E_RNA)
where:
Base-Base interactions energy: -114.885
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.052
local terms energy: -75.381194
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -93.412218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.412218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.412218 (E_RNA)
where:
Base-Base interactions energy: -42.614
where: short stacking energy: -36.362
Base-Backbone interact. energy: 0.306
local terms energy: -51.103960
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -9.474
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -7.834
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -84.866282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.866282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.866282 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -27.241
Base-Backbone interact. energy: -0.263
local terms energy: -48.888602
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -77.713781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.713781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.713781 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -22.250
Base-Backbone interact. energy: 1.078
local terms energy: -45.061558
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -10.589
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: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -85.000193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.000193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.000193 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -22.466
Base-Backbone interact. energy: -0.044
local terms energy: -53.395496
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -80.064323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.064323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.064323 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -20.864
Base-Backbone interact. energy: -0.217
local terms energy: -43.184873
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: 1.621
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -222.200737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.200737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.200737 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -75.642
Base-Backbone interact. energy: -0.061
local terms energy: -79.798049
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.541
tors. eta vs tors. theta energy: -22.476
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: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -210.496501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.496501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.496501 (E_RNA)
where:
Base-Base interactions energy: -137.191
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.534
local terms energy: -72.771554
where:
bonds (distance) C4'-P energy: -9.346
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -15.138
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -18.641
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: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -216.473828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.473828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.473828 (E_RNA)
where:
Base-Base interactions energy: -135.626
where: short stacking energy: -68.947
Base-Backbone interact. energy: -0.009
local terms energy: -80.838541
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -192.408221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.408221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.408221 (E_RNA)
where:
Base-Base interactions energy: -125.180
where: short stacking energy: -55.854
Base-Backbone interact. energy: -0.205
local terms energy: -67.023337
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -16.480
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: 413
Temperature: 1.100000
Total energy: -188.099475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.099475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.099475 (E_RNA)
where:
Base-Base interactions energy: -120.865
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.483
local terms energy: -66.751279
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -100.554462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.554462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.554462 (E_RNA)
where:
Base-Base interactions energy: -49.872
where: short stacking energy: -45.254
Base-Backbone interact. energy: -0.058
local terms energy: -50.624547
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -98.154547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.154547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.154547 (E_RNA)
where:
Base-Base interactions energy: -45.660
where: short stacking energy: -45.660
Base-Backbone interact. energy: -0.274
local terms energy: -52.220588
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -6.824
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -11.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -79.469999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.469999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.469999 (E_RNA)
where:
Base-Base interactions energy: -24.265
where: short stacking energy: -24.265
Base-Backbone interact. energy: -0.162
local terms energy: -55.043189
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -8.574
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: 9, replica: 1
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -81.659578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.659578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.659578 (E_RNA)
where:
Base-Base interactions energy: -38.440
where: short stacking energy: -20.305
Base-Backbone interact. energy: -0.297
local terms energy: -42.922591
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -5.637
tors. eta vs tors. theta energy: 5.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -79.997194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.997194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.997194 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -21.061
Base-Backbone interact. energy: -0.334
local terms energy: -47.224215
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -9.176
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -3.287
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -223.433153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.433153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.433153 (E_RNA)
where:
Base-Base interactions energy: -139.793
where: short stacking energy: -74.820
Base-Backbone interact. energy: -0.002
local terms energy: -83.638588
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -20.122
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: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -219.225053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225053 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -69.219
Base-Backbone interact. energy: -0.045
local terms energy: -78.479459
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -215.034355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.034355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.034355 (E_RNA)
where:
Base-Base interactions energy: -140.214
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.025
local terms energy: -74.795588
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -202.452103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.452103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.452103 (E_RNA)
where:
Base-Base interactions energy: -130.395
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.256
local terms energy: -71.800990
where:
bonds (distance) C4'-P energy: -8.866
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -11.264
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: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -188.703275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.703275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.703275 (E_RNA)
where:
Base-Base interactions energy: -123.659
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.114
local terms energy: -64.930146
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -19.585
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: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -98.420227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.420227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.420227 (E_RNA)
where:
Base-Base interactions energy: -40.924
where: short stacking energy: -35.961
Base-Backbone interact. energy: -0.070
local terms energy: -57.426115
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -5.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -90.730948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.730948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.730948 (E_RNA)
where:
Base-Base interactions energy: -31.633
where: short stacking energy: -31.408
Base-Backbone interact. energy: -0.545
local terms energy: -58.552831
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -84.905845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.905845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.905845 (E_RNA)
where:
Base-Base interactions energy: -41.272
where: short stacking energy: -20.835
Base-Backbone interact. energy: -0.188
local terms energy: -43.446305
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -0.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -78.749897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.749897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.749897 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -16.417
Base-Backbone interact. energy: 0.786
local terms energy: -51.356853
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: 1.817
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: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -79.608155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.608155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.608155 (E_RNA)
where:
Base-Base interactions energy: -35.669
where: short stacking energy: -33.623
Base-Backbone interact. energy: -0.207
local terms energy: -43.731891
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -8.421
flat angles P-C4'-P energy: 0.415
tors. eta vs tors. theta energy: -4.243
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -229.365872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.365872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365872 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -71.741
Base-Backbone interact. energy: -0.003
local terms energy: -80.411221
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -222.911225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.911225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.911225 (E_RNA)
where:
Base-Base interactions energy: -143.729
where: short stacking energy: -74.228
Base-Backbone interact. energy: -0.013
local terms energy: -79.169670
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -13.063
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: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -210.068298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.068298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.068298 (E_RNA)
where:
Base-Base interactions energy: -136.001
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.024
local terms energy: -74.043211
where:
bonds (distance) C4'-P energy: -12.538
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -19.169
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: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -193.312549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.312549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.312549 (E_RNA)
where:
Base-Base interactions energy: -121.820
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.065
local terms energy: -71.427274
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -200.972099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.972099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.972099 (E_RNA)
where:
Base-Base interactions energy: -134.285
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.937
local terms energy: -65.750826
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -102.356109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.356109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.356109 (E_RNA)
where:
Base-Base interactions energy: -52.328
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.125
local terms energy: -49.903196
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -5.213
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: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -98.289169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.289169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.289169 (E_RNA)
where:
Base-Base interactions energy: -43.391
where: short stacking energy: -37.751
Base-Backbone interact. energy: -0.347
local terms energy: -54.550921
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -7.076
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: 415
Temperature: 1.250000
Total energy: -94.061482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.061482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.061482 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -20.150
Base-Backbone interact. energy: 0.040
local terms energy: -55.663183
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -83.149579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.149579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.149579 (E_RNA)
where:
Base-Base interactions energy: -26.634
where: short stacking energy: -26.634
Base-Backbone interact. energy: -0.191
local terms energy: -56.324788
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -5.418
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: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -89.995114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.995114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.995114 (E_RNA)
where:
Base-Base interactions energy: -30.823
where: short stacking energy: -30.823
Base-Backbone interact. energy: -0.166
local terms energy: -59.005176
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -6.036
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -223.733668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.733668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.733668 (E_RNA)
where:
Base-Base interactions energy: -145.457
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.007
local terms energy: -78.270084
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -213.055675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.055675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.055675 (E_RNA)
where:
Base-Base interactions energy: -135.187
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.006
local terms energy: -77.862627
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -208.276684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.276684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.276684 (E_RNA)
where:
Base-Base interactions energy: -137.260
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.438
local terms energy: -70.578869
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -204.160792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.160792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.160792 (E_RNA)
where:
Base-Base interactions energy: -127.882
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.053
local terms energy: -76.226151
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -16.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -192.610417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.610417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.610417 (E_RNA)
where:
Base-Base interactions energy: -120.715
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.048
local terms energy: -71.847065
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -102.036458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.036458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.036458 (E_RNA)
where:
Base-Base interactions energy: -44.472
where: short stacking energy: -25.918
Base-Backbone interact. energy: -0.071
local terms energy: -57.493733
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -95.025437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.025437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.025437 (E_RNA)
where:
Base-Base interactions energy: -41.172
where: short stacking energy: -30.607
Base-Backbone interact. energy: -0.040
local terms energy: -53.813466
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -7.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -86.271966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.271966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.271966 (E_RNA)
where:
Base-Base interactions energy: -39.651
where: short stacking energy: -25.481
Base-Backbone interact. energy: -0.310
local terms energy: -46.310949
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -9.270
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: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -80.137520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.137520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.137520 (E_RNA)
where:
Base-Base interactions energy: -26.217
where: short stacking energy: -26.217
Base-Backbone interact. energy: -0.161
local terms energy: -53.759989
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -1.364
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: 416
Temperature: 1.350000
Total energy: -71.780843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.780843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.780843 (E_RNA)
where:
Base-Base interactions energy: -19.335
where: short stacking energy: -16.284
Base-Backbone interact. energy: 0.154
local terms energy: -52.599877
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -2.383
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -220.684674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.684674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.684674 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -74.486
Base-Backbone interact. energy: -0.010
local terms energy: -80.045370
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -24.478
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: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -211.746653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.746653 (E_RNA)
where:
Base-Base interactions energy: -133.405
where: short stacking energy: -73.587
Base-Backbone interact. energy: -0.018
local terms energy: -78.324112
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -212.336571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336571 (E_RNA)
where:
Base-Base interactions energy: -135.601
where: short stacking energy: -73.266
Base-Backbone interact. energy: -0.337
local terms energy: -76.398291
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -8.615
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: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -202.455496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.455496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.455496 (E_RNA)
where:
Base-Base interactions energy: -129.960
where: short stacking energy: -62.489
Base-Backbone interact. energy: -1.555
local terms energy: -70.941291
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -17.542
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: 417
Temperature: 1.100000
Total energy: -200.641925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.641925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.641925 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -59.075
Base-Backbone interact. energy: -0.193
local terms energy: -69.895761
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -19.320
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: 417
Temperature: 1.150000
Total energy: -92.608409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.608409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.608409 (E_RNA)
where:
Base-Base interactions energy: -37.584
where: short stacking energy: -32.868
Base-Backbone interact. energy: -0.034
local terms energy: -54.990498
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -90.808141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.808141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.808141 (E_RNA)
where:
Base-Base interactions energy: -44.308
where: short stacking energy: -24.376
Base-Backbone interact. energy: -0.876
local terms energy: -45.623999
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -2.822
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: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -117.077092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.077092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.077092 (E_RNA)
where:
Base-Base interactions energy: -55.898
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.232
local terms energy: -60.946602
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -72.627151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.627151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.627151 (E_RNA)
where:
Base-Base interactions energy: -25.383
where: short stacking energy: -21.446
Base-Backbone interact. energy: -0.600
local terms energy: -46.644125
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -8.298
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -75.362070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.362070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.362070 (E_RNA)
where:
Base-Base interactions energy: -27.954
where: short stacking energy: -25.162
Base-Backbone interact. energy: 1.488
local terms energy: -48.896059
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -4.208
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -223.152886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.152886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.152886 (E_RNA)
where:
Base-Base interactions energy: -147.424
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.073
local terms energy: -75.655624
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -21.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -220.332340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.332340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.332340 (E_RNA)
where:
Base-Base interactions energy: -141.915
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.005
local terms energy: -78.412660
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -213.863995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.863995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.863995 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -68.932
Base-Backbone interact. energy: -1.214
local terms energy: -78.448372
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -19.290
flat angles P-C4'-P energy: -11.077
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: 4, replica: 6
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -207.958349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.958349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.958349 (E_RNA)
where:
Base-Base interactions energy: -134.480
where: short stacking energy: -69.362
Base-Backbone interact. energy: -0.593
local terms energy: -72.885278
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -198.135450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.135450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.135450 (E_RNA)
where:
Base-Base interactions energy: -127.522
where: short stacking energy: -64.648
Base-Backbone interact. energy: -0.433
local terms energy: -70.180379
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -8.602
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -21.183
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -100.903949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.903949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.903949 (E_RNA)
where:
Base-Base interactions energy: -48.683
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.304
local terms energy: -51.917212
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -1.896
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -92.701510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.701510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.701510 (E_RNA)
where:
Base-Base interactions energy: -43.999
where: short stacking energy: -44.399
Base-Backbone interact. energy: -0.348
local terms energy: -48.353992
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -6.021
flat angles P-C4'-P energy: -5.937
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: 7
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -76.778622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.778622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.778622 (E_RNA)
where:
Base-Base interactions energy: -29.113
where: short stacking energy: -27.678
Base-Backbone interact. energy: -0.163
local terms energy: -47.502476
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -84.394342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.394342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.394342 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.929
local terms energy: -43.960589
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -81.045435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.045435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.045435 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.300
local terms energy: -50.090037
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -3.674
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -228.086182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.086182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.086182 (E_RNA)
where:
Base-Base interactions energy: -146.363
where: short stacking energy: -73.268
Base-Backbone interact. energy: -0.031
local terms energy: -81.692515
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -13.587
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -208.907783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.907783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.907783 (E_RNA)
where:
Base-Base interactions energy: -137.392
where: short stacking energy: -65.456
Base-Backbone interact. energy: -0.022
local terms energy: -71.493477
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -22.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -205.913779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.913779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.913779 (E_RNA)
where:
Base-Base interactions energy: -142.408
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.174
local terms energy: -63.331833
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -16.530
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: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -184.492294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.492294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.492294 (E_RNA)
where:
Base-Base interactions energy: -116.867
where: short stacking energy: -54.510
Base-Backbone interact. energy: -0.158
local terms energy: -67.467631
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -18.046
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -198.046604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.046604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.046604 (E_RNA)
where:
Base-Base interactions energy: -129.457
where: short stacking energy: -60.094
Base-Backbone interact. energy: -1.796
local terms energy: -66.793788
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -117.724226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.724226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.724226 (E_RNA)
where:
Base-Base interactions energy: -56.681
where: short stacking energy: -48.284
Base-Backbone interact. energy: -0.044
local terms energy: -60.998801
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -14.541
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: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -87.190658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.190658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.190658 (E_RNA)
where:
Base-Base interactions energy: -35.884
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.012
local terms energy: -51.295171
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -7.699
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -95.426146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.426146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.426146 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.782
local terms energy: -59.945163
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -7.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -66.646277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.646277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.646277 (E_RNA)
where:
Base-Base interactions energy: -29.250
where: short stacking energy: -21.125
Base-Backbone interact. energy: 0.192
local terms energy: -37.588887
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -7.311
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: 5
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -87.050271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.050271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.050271 (E_RNA)
where:
Base-Base interactions energy: -36.879
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.256
local terms energy: -49.914646
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -0.835
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -225.615167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.615167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615167 (E_RNA)
where:
Base-Base interactions energy: -150.317
where: short stacking energy: -74.591
Base-Backbone interact. energy: -0.045
local terms energy: -75.253063
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -209.908366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.908366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.908366 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -66.049
Base-Backbone interact. energy: -0.501
local terms energy: -75.324603
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -218.626175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.626175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.626175 (E_RNA)
where:
Base-Base interactions energy: -142.779
where: short stacking energy: -71.113
Base-Backbone interact. energy: -0.959
local terms energy: -74.887905
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -12.786
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: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -193.315125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315125 (E_RNA)
where:
Base-Base interactions energy: -119.029
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.051
local terms energy: -74.235935
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -16.820
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: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -199.191893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.191893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.191893 (E_RNA)
where:
Base-Base interactions energy: -139.016
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.081
local terms energy: -60.094815
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -7.080
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -95.510639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.510639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.510639 (E_RNA)
where:
Base-Base interactions energy: -35.470
where: short stacking energy: -32.877
Base-Backbone interact. energy: -0.991
local terms energy: -59.049707
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -9.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -79.609413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.609413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.609413 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.246
local terms energy: -44.992955
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -5.638
tors. eta vs tors. theta energy: 0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -91.374851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.374851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.374851 (E_RNA)
where:
Base-Base interactions energy: -37.789
where: short stacking energy: -27.405
Base-Backbone interact. energy: 1.612
local terms energy: -55.197966
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -79.628870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.628870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.628870 (E_RNA)
where:
Base-Base interactions energy: -28.842
where: short stacking energy: -28.842
Base-Backbone interact. energy: -0.191
local terms energy: -50.595476
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -76.911735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.911735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.911735 (E_RNA)
where:
Base-Base interactions energy: -29.233
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.121
local terms energy: -47.558400
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -7.840
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -217.639326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.639326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.639326 (E_RNA)
where:
Base-Base interactions energy: -148.335
where: short stacking energy: -59.838
Base-Backbone interact. energy: -0.169
local terms energy: -69.134869
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -223.973787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.973787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.973787 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -69.144
Base-Backbone interact. energy: -1.057
local terms energy: -79.192075
where:
bonds (distance) C4'-P energy: -18.342
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -18.750
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: 421
Temperature: 1.000000
Total energy: -207.234393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.234393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.234393 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.088
local terms energy: -73.262289
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -18.521
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: 4, replica: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -198.256893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.256893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.256893 (E_RNA)
where:
Base-Base interactions energy: -124.233
where: short stacking energy: -53.509
Base-Backbone interact. energy: -0.503
local terms energy: -73.521045
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -12.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -191.616572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616572 (E_RNA)
where:
Base-Base interactions energy: -122.393
where: short stacking energy: -55.640
Base-Backbone interact. energy: -0.043
local terms energy: -69.180764
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -156.506190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.506190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.506190 (E_RNA)
where:
Base-Base interactions energy: -89.137
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.006
local terms energy: -67.363303
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -115.968463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.968463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.968463 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -40.467
Base-Backbone interact. energy: -0.069
local terms energy: -54.806700
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -6.070
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: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -92.474148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.474148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.474148 (E_RNA)
where:
Base-Base interactions energy: -48.355
where: short stacking energy: -19.914
Base-Backbone interact. energy: -1.177
local terms energy: -42.942149
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.607
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -76.127716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.127716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.127716 (E_RNA)
where:
Base-Base interactions energy: -29.268
where: short stacking energy: -28.186
Base-Backbone interact. energy: -0.093
local terms energy: -46.767261
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -7.229
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -80.694562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.694562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.694562 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -27.232
Base-Backbone interact. energy: -0.239
local terms energy: -50.354376
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -5.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -213.325096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.325096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.325096 (E_RNA)
where:
Base-Base interactions energy: -140.463
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.039
local terms energy: -72.823437
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -10.423
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -211.187747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.187747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.187747 (E_RNA)
where:
Base-Base interactions energy: -146.977
where: short stacking energy: -51.875
Base-Backbone interact. energy: -0.210
local terms energy: -64.000686
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -11.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -197.263237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.263237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.263237 (E_RNA)
where:
Base-Base interactions energy: -127.717
where: short stacking energy: -56.910
Base-Backbone interact. energy: 2.027
local terms energy: -71.573087
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -17.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -208.240706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.240706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.240706 (E_RNA)
where:
Base-Base interactions energy: -131.743
where: short stacking energy: -67.567
Base-Backbone interact. energy: -0.991
local terms energy: -75.506323
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -18.985
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: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -204.721708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.721708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.721708 (E_RNA)
where:
Base-Base interactions energy: -130.702
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.135
local terms energy: -73.884103
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -160.794211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.794211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.794211 (E_RNA)
where:
Base-Base interactions energy: -103.282
where: short stacking energy: -47.456
Base-Backbone interact. energy: -0.464
local terms energy: -57.048192
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.081
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: 422
Temperature: 1.200000
Total energy: -96.641483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.641483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.641483 (E_RNA)
where:
Base-Base interactions energy: -40.578
where: short stacking energy: -30.903
Base-Backbone interact. energy: 1.750
local terms energy: -57.813785
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -3.041
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: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -131.832717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.832717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.832717 (E_RNA)
where:
Base-Base interactions energy: -73.175
where: short stacking energy: -52.099
Base-Backbone interact. energy: -0.227
local terms energy: -58.430717
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -81.563642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563642 (E_RNA)
where:
Base-Base interactions energy: -30.146
where: short stacking energy: -24.902
Base-Backbone interact. energy: 0.921
local terms energy: -52.338227
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -10.672
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -3.234
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: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -81.730294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.730294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.730294 (E_RNA)
where:
Base-Base interactions energy: -24.891
where: short stacking energy: -24.891
Base-Backbone interact. energy: -0.095
local terms energy: -56.744995
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -4.704
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -216.661163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.661163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.661163 (E_RNA)
where:
Base-Base interactions energy: -142.900
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.060
local terms energy: -73.700813
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -208.045914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045914 (E_RNA)
where:
Base-Base interactions energy: -137.404
where: short stacking energy: -70.752
Base-Backbone interact. energy: -0.526
local terms energy: -70.115762
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -9.465
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -209.039674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.039674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.039674 (E_RNA)
where:
Base-Base interactions energy: -131.908
where: short stacking energy: -67.564
Base-Backbone interact. energy: -0.027
local terms energy: -77.105317
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -21.999
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -214.444034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.444034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.444034 (E_RNA)
where:
Base-Base interactions energy: -141.671
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.020
local terms energy: -72.753070
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -13.509
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -19.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -178.062316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.062316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.062316 (E_RNA)
where:
Base-Base interactions energy: -114.456
where: short stacking energy: -45.645
Base-Backbone interact. energy: -0.507
local terms energy: -63.100032
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -12.551
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: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -156.570376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.570376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.570376 (E_RNA)
where:
Base-Base interactions energy: -95.103
where: short stacking energy: -41.118
Base-Backbone interact. energy: -0.051
local terms energy: -61.416987
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -9.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -83.909407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909407 (E_RNA)
where:
Base-Base interactions energy: -43.142
where: short stacking energy: -29.980
Base-Backbone interact. energy: 0.416
local terms energy: -41.183404
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -3.157
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -83.411124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411124 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -33.238
Base-Backbone interact. energy: -0.189
local terms energy: -48.895413
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -81.367535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.367535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.367535 (E_RNA)
where:
Base-Base interactions energy: -22.454
where: short stacking energy: -22.454
Base-Backbone interact. energy: -0.066
local terms energy: -58.847149
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -70.818639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.818639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.818639 (E_RNA)
where:
Base-Base interactions energy: -23.195
where: short stacking energy: -18.827
Base-Backbone interact. energy: -0.260
local terms energy: -47.363554
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -8.564
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -0.030
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -223.225583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.225583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.225583 (E_RNA)
where:
Base-Base interactions energy: -137.710
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.014
local terms energy: -85.501797
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -210.430665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.430665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.430665 (E_RNA)
where:
Base-Base interactions energy: -137.258
where: short stacking energy: -71.627
Base-Backbone interact. energy: -0.179
local terms energy: -72.994170
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -12.111
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: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -210.434334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.434334 (E_RNA)
where:
Base-Base interactions energy: -138.442
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.008
local terms energy: -71.984253
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -205.954902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.954902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.954902 (E_RNA)
where:
Base-Base interactions energy: -132.924
where: short stacking energy: -69.208
Base-Backbone interact. energy: -0.026
local terms energy: -73.004210
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -21.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -175.940676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.940676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.940676 (E_RNA)
where:
Base-Base interactions energy: -119.465
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.330
local terms energy: -56.145551
where:
bonds (distance) C4'-P energy: -8.604
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -10.510
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: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -104.576852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.576852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.576852 (E_RNA)
where:
Base-Base interactions energy: -41.644
where: short stacking energy: -41.644
Base-Backbone interact. energy: -0.093
local terms energy: -62.839769
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -86.178890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.178890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.178890 (E_RNA)
where:
Base-Base interactions energy: -30.099
where: short stacking energy: -21.149
Base-Backbone interact. energy: -0.108
local terms energy: -55.972414
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -83.286188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.286188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.286188 (E_RNA)
where:
Base-Base interactions energy: -32.119
where: short stacking energy: -31.870
Base-Backbone interact. energy: -0.212
local terms energy: -50.955274
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -9.939
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -78.154862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.154862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.154862 (E_RNA)
where:
Base-Base interactions energy: -29.364
where: short stacking energy: -29.364
Base-Backbone interact. energy: -0.087
local terms energy: -48.704417
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -80.263006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.263006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.263006 (E_RNA)
where:
Base-Base interactions energy: -36.032
where: short stacking energy: -31.058
Base-Backbone interact. energy: -0.191
local terms energy: -44.040930
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -228.142868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142868 (E_RNA)
where:
Base-Base interactions energy: -146.027
where: short stacking energy: -66.243
Base-Backbone interact. energy: -0.036
local terms energy: -82.079799
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -212.521307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.521307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.521307 (E_RNA)
where:
Base-Base interactions energy: -135.056
where: short stacking energy: -71.264
Base-Backbone interact. energy: -0.587
local terms energy: -76.878548
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -19.044
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: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -209.576211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.576211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.576211 (E_RNA)
where:
Base-Base interactions energy: -136.262
where: short stacking energy: -67.418
Base-Backbone interact. energy: -0.006
local terms energy: -73.308830
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -195.852019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.852019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.852019 (E_RNA)
where:
Base-Base interactions energy: -124.679
where: short stacking energy: -54.181
Base-Backbone interact. energy: -0.174
local terms energy: -70.999056
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -178.032060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.032060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.032060 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -53.115
Base-Backbone interact. energy: -0.288
local terms energy: -64.890767
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -98.832487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.832487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.832487 (E_RNA)
where:
Base-Base interactions energy: -41.899
where: short stacking energy: -35.898
Base-Backbone interact. energy: -0.196
local terms energy: -56.737144
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -6.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -102.009576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.009576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.009576 (E_RNA)
where:
Base-Base interactions energy: -44.391
where: short stacking energy: -44.391
Base-Backbone interact. energy: 1.132
local terms energy: -58.750586
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -5.901
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -79.226929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.226929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.226929 (E_RNA)
where:
Base-Base interactions energy: -30.128
where: short stacking energy: -24.331
Base-Backbone interact. energy: 1.692
local terms energy: -50.790853
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -11.216
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -2.528
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: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -77.457982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.457982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.457982 (E_RNA)
where:
Base-Base interactions energy: -31.817
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.117
local terms energy: -45.524137
where:
bonds (distance) C4'-P energy: -10.372
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -2.986
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: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -73.036534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.036534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.036534 (E_RNA)
where:
Base-Base interactions energy: -27.849
where: short stacking energy: -14.487
Base-Backbone interact. energy: -0.348
local terms energy: -44.839293
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -224.304167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.304167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.304167 (E_RNA)
where:
Base-Base interactions energy: -145.134
where: short stacking energy: -74.928
Base-Backbone interact. energy: -0.041
local terms energy: -79.129289
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -21.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -213.634822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.634822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.634822 (E_RNA)
where:
Base-Base interactions energy: -137.558
where: short stacking energy: -67.795
Base-Backbone interact. energy: -0.179
local terms energy: -75.897666
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -194.622668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.622668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.622668 (E_RNA)
where:
Base-Base interactions energy: -123.512
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.114
local terms energy: -70.996317
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -13.052
tors. eta vs tors. theta energy: -11.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -202.444707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.444707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.444707 (E_RNA)
where:
Base-Base interactions energy: -130.657
where: short stacking energy: -64.364
Base-Backbone interact. energy: 1.056
local terms energy: -72.843852
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -18.567
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: 5, replica: 6
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -183.059007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.059007 (E_RNA)
where:
Base-Base interactions energy: -121.007
where: short stacking energy: -55.092
Base-Backbone interact. energy: 0.098
local terms energy: -62.150150
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -11.258
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -101.255205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.255205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.255205 (E_RNA)
where:
Base-Base interactions energy: -45.257
where: short stacking energy: -27.268
Base-Backbone interact. energy: -1.214
local terms energy: -54.785095
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -11.762
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -2.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -93.913253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.913253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.913253 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -40.195
Base-Backbone interact. energy: -0.057
local terms energy: -53.661307
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -8.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -85.754705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754705 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -34.136
Base-Backbone interact. energy: -0.519
local terms energy: -51.100203
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -7.481
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -86.095611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.095611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.095611 (E_RNA)
where:
Base-Base interactions energy: -36.044
where: short stacking energy: -33.480
Base-Backbone interact. energy: -0.043
local terms energy: -50.008591
where:
bonds (distance) C4'-P energy: -5.905
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -6.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -78.473183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.473183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.473183 (E_RNA)
where:
Base-Base interactions energy: -30.144
where: short stacking energy: -30.144
Base-Backbone interact. energy: -0.710
local terms energy: -47.618640
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -14.294
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -6.510
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)
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==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -225.490224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.490224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.490224 (E_RNA)
where:
Base-Base interactions energy: -141.506
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.049
local terms energy: -83.935978
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -23.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -222.514442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.514442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.514442 (E_RNA)
where:
Base-Base interactions energy: -139.558
where: short stacking energy: -66.591
Base-Backbone interact. energy: -0.568
local terms energy: -82.388866
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -207.320078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.320078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320078 (E_RNA)
where:
Base-Base interactions energy: -133.941
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.069
local terms energy: -73.310692
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -194.576966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.576966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.576966 (E_RNA)
where:
Base-Base interactions energy: -128.661
where: short stacking energy: -55.932
Base-Backbone interact. energy: -0.377
local terms energy: -65.539239
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -202.555020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.555020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.555020 (E_RNA)
where:
Base-Base interactions energy: -124.223
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.065
local terms energy: -78.267748
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -93.220922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.220922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.220922 (E_RNA)
where:
Base-Base interactions energy: -38.031
where: short stacking energy: -35.668
Base-Backbone interact. energy: -0.539
local terms energy: -54.650724
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -5.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -85.614544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.614544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.614544 (E_RNA)
where:
Base-Base interactions energy: -38.023
where: short stacking energy: -20.842
Base-Backbone interact. energy: -0.050
local terms energy: -47.541348
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -95.270355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.270355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.270355 (E_RNA)
where:
Base-Base interactions energy: -46.502
where: short stacking energy: -33.442
Base-Backbone interact. energy: -0.207
local terms energy: -48.561003
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -80.286143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.286143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.286143 (E_RNA)
where:
Base-Base interactions energy: -31.925
where: short stacking energy: -31.925
Base-Backbone interact. energy: 0.096
local terms energy: -48.457606
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -7.193
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -6.003
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: 427
Temperature: 1.350000
Total energy: -73.269700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.269700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.269700 (E_RNA)
where:
Base-Base interactions energy: -29.868
where: short stacking energy: -26.686
Base-Backbone interact. energy: -0.537
local terms energy: -42.865376
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -223.925938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.925938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.925938 (E_RNA)
where:
Base-Base interactions energy: -145.245
where: short stacking energy: -74.321
Base-Backbone interact. energy: -0.023
local terms energy: -78.658045
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -212.062785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.062785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.062785 (E_RNA)
where:
Base-Base interactions energy: -133.441
where: short stacking energy: -66.862
Base-Backbone interact. energy: -0.028
local terms energy: -78.593928
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -21.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -224.840536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.840536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.840536 (E_RNA)
where:
Base-Base interactions energy: -141.338
where: short stacking energy: -74.423
Base-Backbone interact. energy: 0.227
local terms energy: -83.730199
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -22.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -200.764334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.764334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.764334 (E_RNA)
where:
Base-Base interactions energy: -136.790
where: short stacking energy: -70.337
Base-Backbone interact. energy: -0.086
local terms energy: -63.888106
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -19.652
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: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -205.309619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.309619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.309619 (E_RNA)
where:
Base-Base interactions energy: -131.352
where: short stacking energy: -64.606
Base-Backbone interact. energy: -0.030
local terms energy: -73.928227
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -99.643781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.643781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.643781 (E_RNA)
where:
Base-Base interactions energy: -45.941
where: short stacking energy: -45.941
Base-Backbone interact. energy: -0.042
local terms energy: -53.660352
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -7.459
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: 7
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -91.646594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.646594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.646594 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -33.865
Base-Backbone interact. energy: -0.174
local terms energy: -54.056713
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -81.959744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.959744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.959744 (E_RNA)
where:
Base-Base interactions energy: -28.046
where: short stacking energy: -28.046
Base-Backbone interact. energy: -0.070
local terms energy: -53.844079
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -83.055458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.055458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.055458 (E_RNA)
where:
Base-Base interactions energy: -30.281
where: short stacking energy: -30.281
Base-Backbone interact. energy: -0.310
local terms energy: -52.464155
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.839231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.839231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.839231 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -29.560
Base-Backbone interact. energy: -0.339
local terms energy: -44.163325
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -8.803
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: 0.994
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -223.895815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.895815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.895815 (E_RNA)
where:
Base-Base interactions energy: -145.507
where: short stacking energy: -70.290
Base-Backbone interact. energy: 0.941
local terms energy: -79.329569
where:
bonds (distance) C4'-P energy: -9.545
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -219.796175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.796175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.796175 (E_RNA)
where:
Base-Base interactions energy: -146.007
where: short stacking energy: -72.985
Base-Backbone interact. energy: -0.011
local terms energy: -73.778369
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -6.479
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: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -207.372093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.372093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.372093 (E_RNA)
where:
Base-Base interactions energy: -132.301
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.001
local terms energy: -75.070144
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -17.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -207.075632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075632 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -68.569
Base-Backbone interact. energy: -0.914
local terms energy: -78.518537
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -9.534
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: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -188.728193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.728193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.728193 (E_RNA)
where:
Base-Base interactions energy: -112.997
where: short stacking energy: -50.830
Base-Backbone interact. energy: 0.038
local terms energy: -75.769041
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -14.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -99.595521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.595521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.595521 (E_RNA)
where:
Base-Base interactions energy: -40.960
where: short stacking energy: -35.947
Base-Backbone interact. energy: -0.029
local terms energy: -58.606991
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -8.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -85.246427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.246427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.246427 (E_RNA)
where:
Base-Base interactions energy: -32.845
where: short stacking energy: -32.764
Base-Backbone interact. energy: -0.008
local terms energy: -52.393185
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -4.104
tors. eta vs tors. theta energy: -8.580
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: 8, replica: 5
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -91.649152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.649152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.649152 (E_RNA)
where:
Base-Base interactions energy: -32.856
where: short stacking energy: -32.856
Base-Backbone interact. energy: -0.038
local terms energy: -58.756015
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -7.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.588329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.588329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.588329 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -35.301
Base-Backbone interact. energy: 1.746
local terms energy: -54.033514
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -4.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -81.127090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.127090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.127090 (E_RNA)
where:
Base-Base interactions energy: -34.705
where: short stacking energy: -25.486
Base-Backbone interact. energy: -0.056
local terms energy: -46.366121
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -222.986728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.986728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.986728 (E_RNA)
where:
Base-Base interactions energy: -147.344
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.034
local terms energy: -75.608287
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -21.994
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: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -215.191844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.191844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.191844 (E_RNA)
where:
Base-Base interactions energy: -142.844
where: short stacking energy: -69.853
Base-Backbone interact. energy: -0.024
local terms energy: -72.323712
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -19.134
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: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -215.880788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.880788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.880788 (E_RNA)
where:
Base-Base interactions energy: -133.301
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.035
local terms energy: -82.545161
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -23.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -194.740869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.740869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.740869 (E_RNA)
where:
Base-Base interactions energy: -122.413
where: short stacking energy: -59.970
Base-Backbone interact. energy: -0.188
local terms energy: -72.139550
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -16.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -176.728768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.728768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.728768 (E_RNA)
where:
Base-Base interactions energy: -115.759
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.004
local terms energy: -60.965730
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -91.793207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.793207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.793207 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -29.943
Base-Backbone interact. energy: -0.116
local terms energy: -48.762030
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.288191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.288191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.288191 (E_RNA)
where:
Base-Base interactions energy: -48.590
where: short stacking energy: -29.835
Base-Backbone interact. energy: 0.018
local terms energy: -46.715985
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -7.017
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: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -89.154676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154676 (E_RNA)
where:
Base-Base interactions energy: -37.439
where: short stacking energy: -27.940
Base-Backbone interact. energy: -0.229
local terms energy: -51.487454
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -70.631002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.631002 (E_RNA)
where:
Base-Base interactions energy: -30.275
where: short stacking energy: -21.588
Base-Backbone interact. energy: -0.262
local terms energy: -40.093572
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -7.951
flat angles P-C4'-P energy: -3.996
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -79.819715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819715 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.077
local terms energy: -47.180356
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -5.783
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -223.982769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.982769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.982769 (E_RNA)
where:
Base-Base interactions energy: -142.390
where: short stacking energy: -74.834
Base-Backbone interact. energy: -0.012
local terms energy: -81.580046
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -11.348
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: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -219.114968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.114968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.114968 (E_RNA)
where:
Base-Base interactions energy: -143.136
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.001
local terms energy: -75.978474
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -20.449
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: 3, replica: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -220.606399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.606399 (E_RNA)
where:
Base-Base interactions energy: -140.580
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.010
local terms energy: -80.015779
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -210.589220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.589220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.589220 (E_RNA)
where:
Base-Base interactions energy: -136.268
where: short stacking energy: -71.495
Base-Backbone interact. energy: -1.131
local terms energy: -73.190132
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -204.633464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.633464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.633464 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -57.073
Base-Backbone interact. energy: -1.086
local terms energy: -76.752283
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -22.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -91.870661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.870661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.870661 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.251
local terms energy: -54.566108
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -7.459
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: 431
Temperature: 1.200000
Total energy: -89.566135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.566135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.566135 (E_RNA)
where:
Base-Base interactions energy: -40.702
where: short stacking energy: -29.167
Base-Backbone interact. energy: 0.050
local terms energy: -48.914207
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -88.265217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.265217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.265217 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.064
local terms energy: -50.238187
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -78.031050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031050 (E_RNA)
where:
Base-Base interactions energy: -35.051
where: short stacking energy: -30.967
Base-Backbone interact. energy: 0.101
local terms energy: -43.081046
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -75.901583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.901583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.901583 (E_RNA)
where:
Base-Base interactions energy: -27.084
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.122
local terms energy: -48.695729
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -6.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -220.009488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.009488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.009488 (E_RNA)
where:
Base-Base interactions energy: -142.034
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.303
local terms energy: -77.673304
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -205.533794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.533794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.533794 (E_RNA)
where:
Base-Base interactions energy: -124.840
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.011
local terms energy: -80.682297
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -209.088027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.088027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.088027 (E_RNA)
where:
Base-Base interactions energy: -132.195
where: short stacking energy: -58.278
Base-Backbone interact. energy: -0.010
local terms energy: -76.882793
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -217.422400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422400 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -73.873
Base-Backbone interact. energy: -0.033
local terms energy: -75.334571
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -202.911855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.911855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.911855 (E_RNA)
where:
Base-Base interactions energy: -130.200
where: short stacking energy: -68.545
Base-Backbone interact. energy: 0.540
local terms energy: -73.251756
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -16.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -94.109092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.109092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.109092 (E_RNA)
where:
Base-Base interactions energy: -39.432
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.573
local terms energy: -54.103794
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -7.624
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -89.357200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.357200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.357200 (E_RNA)
where:
Base-Base interactions energy: -31.222
where: short stacking energy: -31.222
Base-Backbone interact. energy: -0.076
local terms energy: -58.059214
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -5.453
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: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -95.670365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.670365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.670365 (E_RNA)
where:
Base-Base interactions energy: -40.086
where: short stacking energy: -37.585
Base-Backbone interact. energy: 1.162
local terms energy: -56.745978
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -4.276
tors. eta vs tors. theta energy: -13.044
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: 10
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -83.652626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.652626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.652626 (E_RNA)
where:
Base-Base interactions energy: -29.440
where: short stacking energy: -29.440
Base-Backbone interact. energy: -0.145
local terms energy: -54.067019
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -71.103242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.103242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.103242 (E_RNA)
where:
Base-Base interactions energy: -22.532
where: short stacking energy: -22.532
Base-Backbone interact. energy: -0.222
local terms energy: -48.349848
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: 5.084
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -222.738939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.738939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.738939 (E_RNA)
where:
Base-Base interactions energy: -141.177
where: short stacking energy: -69.821
Base-Backbone interact. energy: -1.086
local terms energy: -80.476751
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -21.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -210.914095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.914095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.914095 (E_RNA)
where:
Base-Base interactions energy: -131.268
where: short stacking energy: -59.395
Base-Backbone interact. energy: 0.095
local terms energy: -79.741404
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -202.411545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.411545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.411545 (E_RNA)
where:
Base-Base interactions energy: -131.841
where: short stacking energy: -60.073
Base-Backbone interact. energy: -1.158
local terms energy: -69.411846
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.622
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -15.207
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: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -208.894179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.894179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.894179 (E_RNA)
where:
Base-Base interactions energy: -131.851
where: short stacking energy: -67.182
Base-Backbone interact. energy: -0.003
local terms energy: -77.039487
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -200.486493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.486493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.486493 (E_RNA)
where:
Base-Base interactions energy: -137.394
where: short stacking energy: -62.893
Base-Backbone interact. energy: 0.922
local terms energy: -64.015385
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -5.438
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -88.103726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.103726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.103726 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -34.309
Base-Backbone interact. energy: 1.029
local terms energy: -54.824404
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -83.276268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.276268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.276268 (E_RNA)
where:
Base-Base interactions energy: -35.617
where: short stacking energy: -34.880
Base-Backbone interact. energy: -0.058
local terms energy: -47.601886
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -9.238
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -90.172844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.172844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.172844 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -30.830
Base-Backbone interact. energy: -0.202
local terms energy: -59.140455
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -85.272709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.272709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.272709 (E_RNA)
where:
Base-Base interactions energy: -29.327
where: short stacking energy: -21.166
Base-Backbone interact. energy: -0.241
local terms energy: -55.705429
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -6.526
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: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -81.976886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.976886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.976886 (E_RNA)
where:
Base-Base interactions energy: -39.831
where: short stacking energy: -28.362
Base-Backbone interact. energy: 0.922
local terms energy: -43.067653
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -1.478
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -226.653132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.653132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.653132 (E_RNA)
where:
Base-Base interactions energy: -144.157
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.459
local terms energy: -82.038027
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -14.723
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -211.805066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805066 (E_RNA)
where:
Base-Base interactions energy: -138.384
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.463
local terms energy: -72.958720
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -187.849692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.849692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.849692 (E_RNA)
where:
Base-Base interactions energy: -116.167
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.061
local terms energy: -71.621438
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -16.931
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: 3
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -188.462215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.462215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.462215 (E_RNA)
where:
Base-Base interactions energy: -121.896
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.205
local terms energy: -66.360588
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -10.127
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -162.448449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.448449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.448449 (E_RNA)
where:
Base-Base interactions energy: -99.639
where: short stacking energy: -56.716
Base-Backbone interact. energy: -0.005
local terms energy: -62.804395
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.637
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -97.649260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.649260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.649260 (E_RNA)
where:
Base-Base interactions energy: -44.325
where: short stacking energy: -44.310
Base-Backbone interact. energy: -0.467
local terms energy: -52.857843
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -5.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -100.269954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.269954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.269954 (E_RNA)
where:
Base-Base interactions energy: -40.571
where: short stacking energy: -30.475
Base-Backbone interact. energy: -0.155
local terms energy: -59.544251
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -7.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -72.650758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.650758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.650758 (E_RNA)
where:
Base-Base interactions energy: -18.677
where: short stacking energy: -14.975
Base-Backbone interact. energy: -0.094
local terms energy: -53.880003
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -13.138
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: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -75.695395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.695395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.695395 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -23.528
Base-Backbone interact. energy: -0.275
local terms energy: -43.565585
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -6.983
flat angles P-C4'-P energy: -8.049
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: 5
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -68.139531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.139531 (E_RNA)
where:
Base-Base interactions energy: -17.916
where: short stacking energy: -17.191
Base-Backbone interact. energy: 0.104
local terms energy: -50.327407
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -222.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.999186 (E_RNA)
where:
Base-Base interactions energy: -145.077
where: short stacking energy: -72.761
Base-Backbone interact. energy: -0.642
local terms energy: -77.279927
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -214.243890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.243890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.243890 (E_RNA)
where:
Base-Base interactions energy: -136.287
where: short stacking energy: -72.523
Base-Backbone interact. energy: -0.199
local terms energy: -77.758214
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -190.514010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.514010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.514010 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.085
local terms energy: -63.158755
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -6.370
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: 3
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -196.089120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.089120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.089120 (E_RNA)
where:
Base-Base interactions energy: -121.491
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.067
local terms energy: -74.532076
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -182.107798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.107798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.107798 (E_RNA)
where:
Base-Base interactions energy: -112.932
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.691
local terms energy: -68.484579
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -92.646066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.646066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.646066 (E_RNA)
where:
Base-Base interactions energy: -44.806
where: short stacking energy: -30.307
Base-Backbone interact. energy: -0.418
local terms energy: -47.421377
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -2.828
tors. eta vs tors. theta energy: -5.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -86.597013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.597013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.597013 (E_RNA)
where:
Base-Base interactions energy: -34.664
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.087
local terms energy: -51.846598
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -8.655
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: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -96.706276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.706276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.706276 (E_RNA)
where:
Base-Base interactions energy: -49.271
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.178
local terms energy: -47.257459
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -81.822168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.822168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.822168 (E_RNA)
where:
Base-Base interactions energy: -29.444
where: short stacking energy: -22.164
Base-Backbone interact. energy: -0.015
local terms energy: -52.363214
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -67.568341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.568341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.568341 (E_RNA)
where:
Base-Base interactions energy: -22.295
where: short stacking energy: -21.686
Base-Backbone interact. energy: -0.128
local terms energy: -45.144907
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: 1.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -221.575649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.575649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.575649 (E_RNA)
where:
Base-Base interactions energy: -140.948
where: short stacking energy: -74.739
Base-Backbone interact. energy: -0.018
local terms energy: -80.609599
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -23.122
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -214.206643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.206643 (E_RNA)
where:
Base-Base interactions energy: -135.472
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.487
local terms energy: -78.247915
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -21.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -212.752952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.752952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.752952 (E_RNA)
where:
Base-Base interactions energy: -138.416
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.415
local terms energy: -73.922303
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -12.312
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.346
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: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -197.019082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.019082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.019082 (E_RNA)
where:
Base-Base interactions energy: -128.505
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.182
local terms energy: -68.332502
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -160.720950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.720950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.720950 (E_RNA)
where:
Base-Base interactions energy: -100.392
where: short stacking energy: -45.397
Base-Backbone interact. energy: -0.650
local terms energy: -59.678943
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -97.298305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.298305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.298305 (E_RNA)
where:
Base-Base interactions energy: -36.801
where: short stacking energy: -27.866
Base-Backbone interact. energy: -0.051
local terms energy: -60.445924
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -83.567102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.567102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.567102 (E_RNA)
where:
Base-Base interactions energy: -26.599
where: short stacking energy: -26.599
Base-Backbone interact. energy: -0.332
local terms energy: -56.636876
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -10.047
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -92.582040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582040 (E_RNA)
where:
Base-Base interactions energy: -48.942
where: short stacking energy: -42.467
Base-Backbone interact. energy: -0.488
local terms energy: -43.152416
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -6.426
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -79.852182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.852182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.852182 (E_RNA)
where:
Base-Base interactions energy: -28.831
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.087
local terms energy: -50.934371
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -4.293
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -74.924959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.924959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.924959 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -23.192
Base-Backbone interact. energy: -0.208
local terms energy: -43.378078
where:
bonds (distance) C4'-P energy: -7.113
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -7.090
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -1.428
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -223.284122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.284122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.284122 (E_RNA)
where:
Base-Base interactions energy: -142.223
where: short stacking energy: -72.532
Base-Backbone interact. energy: -0.021
local terms energy: -81.040468
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -216.458846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.458846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.458846 (E_RNA)
where:
Base-Base interactions energy: -141.909
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.105
local terms energy: -74.445281
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -11.593
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: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -202.566934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.566934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.566934 (E_RNA)
where:
Base-Base interactions energy: -127.580
where: short stacking energy: -65.528
Base-Backbone interact. energy: -0.188
local terms energy: -74.799000
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -18.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -204.840596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.840596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.840596 (E_RNA)
where:
Base-Base interactions energy: -148.351
where: short stacking energy: -65.135
Base-Backbone interact. energy: -0.155
local terms energy: -56.335305
where:
bonds (distance) C4'-P energy: -4.990
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -5.334
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -175.497639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.497639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.497639 (E_RNA)
where:
Base-Base interactions energy: -110.362
where: short stacking energy: -41.758
Base-Backbone interact. energy: -1.777
local terms energy: -63.358968
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -7.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -103.686084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.686084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.686084 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -42.183
Base-Backbone interact. energy: -0.057
local terms energy: -57.538214
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -95.980736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.980736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.980736 (E_RNA)
where:
Base-Base interactions energy: -38.619
where: short stacking energy: -24.880
Base-Backbone interact. energy: -0.150
local terms energy: -57.211186
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -9.994
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -89.019199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019199 (E_RNA)
where:
Base-Base interactions energy: -29.724
where: short stacking energy: -28.307
Base-Backbone interact. energy: -0.228
local terms energy: -59.067775
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.520
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -84.938211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.938211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.938211 (E_RNA)
where:
Base-Base interactions energy: -35.956
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.006
local terms energy: -48.975601
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -74.662007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.662007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.662007 (E_RNA)
where:
Base-Base interactions energy: -25.749
where: short stacking energy: -24.800
Base-Backbone interact. energy: -0.766
local terms energy: -48.147142
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -10.133
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -224.924448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.924448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.924448 (E_RNA)
where:
Base-Base interactions energy: -149.396
where: short stacking energy: -63.640
Base-Backbone interact. energy: 0.108
local terms energy: -75.635778
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -214.232723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.232723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.232723 (E_RNA)
where:
Base-Base interactions energy: -142.513
where: short stacking energy: -70.801
Base-Backbone interact. energy: -0.071
local terms energy: -71.648609
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -220.522538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.522538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.522538 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.056
local terms energy: -77.640244
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.584
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: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -207.349538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349538 (E_RNA)
where:
Base-Base interactions energy: -135.012
where: short stacking energy: -65.236
Base-Backbone interact. energy: -0.066
local terms energy: -72.271289
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -18.932
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: 5, replica: 4
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -176.027041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.027041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.027041 (E_RNA)
where:
Base-Base interactions energy: -121.532
where: short stacking energy: -51.631
Base-Backbone interact. energy: -0.221
local terms energy: -54.273887
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -10.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -101.373082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.373082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.373082 (E_RNA)
where:
Base-Base interactions energy: -45.920
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.143
local terms energy: -55.309913
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -1.661
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: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -93.034933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.034933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.034933 (E_RNA)
where:
Base-Base interactions energy: -39.211
where: short stacking energy: -35.215
Base-Backbone interact. energy: -0.009
local terms energy: -53.814846
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -8.335
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: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -95.142113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142113 (E_RNA)
where:
Base-Base interactions energy: -40.348
where: short stacking energy: -40.019
Base-Backbone interact. energy: 1.937
local terms energy: -56.731638
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -9.078
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: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -76.225173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.225173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.225173 (E_RNA)
where:
Base-Base interactions energy: -27.540
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.120
local terms energy: -48.564833
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -76.536524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.536524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.536524 (E_RNA)
where:
Base-Base interactions energy: -31.321
where: short stacking energy: -27.343
Base-Backbone interact. energy: -0.242
local terms energy: -44.973543
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -7.608
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -216.415682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415682 (E_RNA)
where:
Base-Base interactions energy: -136.662
where: short stacking energy: -69.003
Base-Backbone interact. energy: -0.044
local terms energy: -79.709895
where:
bonds (distance) C4'-P energy: -9.631
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -216.527995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527995 (E_RNA)
where:
Base-Base interactions energy: -136.112
where: short stacking energy: -69.363
Base-Backbone interact. energy: -0.015
local terms energy: -80.401376
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -22.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -203.512752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.512752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.512752 (E_RNA)
where:
Base-Base interactions energy: -130.859
where: short stacking energy: -69.228
Base-Backbone interact. energy: -0.122
local terms energy: -72.531894
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -201.859714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.859714 (E_RNA)
where:
Base-Base interactions energy: -135.099
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.034
local terms energy: -66.726387
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -14.985
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: 5, replica: 4
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -176.969836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969836 (E_RNA)
where:
Base-Base interactions energy: -113.693
where: short stacking energy: -48.971
Base-Backbone interact. energy: -0.489
local terms energy: -62.787619
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -96.685998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.685998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.685998 (E_RNA)
where:
Base-Base interactions energy: -43.097
where: short stacking energy: -29.257
Base-Backbone interact. energy: -0.007
local terms energy: -53.581939
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -96.369210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369210 (E_RNA)
where:
Base-Base interactions energy: -38.060
where: short stacking energy: -24.116
Base-Backbone interact. energy: -1.565
local terms energy: -56.744174
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -105.607240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.607240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.607240 (E_RNA)
where:
Base-Base interactions energy: -54.910
where: short stacking energy: -43.601
Base-Backbone interact. energy: -0.190
local terms energy: -50.507173
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -5.746
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: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -75.942529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.942529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.942529 (E_RNA)
where:
Base-Base interactions energy: -29.851
where: short stacking energy: -20.017
Base-Backbone interact. energy: -0.196
local terms energy: -45.894804
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -3.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -72.554296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.554296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.554296 (E_RNA)
where:
Base-Base interactions energy: -26.531
where: short stacking energy: -23.055
Base-Backbone interact. energy: -0.234
local terms energy: -45.789197
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -222.353936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.353936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.353936 (E_RNA)
where:
Base-Base interactions energy: -141.655
where: short stacking energy: -76.098
Base-Backbone interact. energy: -0.075
local terms energy: -80.623881
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -16.948
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -21.165
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: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -219.046721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.046721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.046721 (E_RNA)
where:
Base-Base interactions energy: -136.559
where: short stacking energy: -70.395
Base-Backbone interact. energy: -0.673
local terms energy: -81.814390
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -212.176370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.176370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.176370 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -74.729
Base-Backbone interact. energy: 2.470
local terms energy: -71.084488
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -11.554
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: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -211.181811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.181811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.181811 (E_RNA)
where:
Base-Base interactions energy: -134.583
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.023
local terms energy: -76.575724
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -20.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -179.490921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.490921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.490921 (E_RNA)
where:
Base-Base interactions energy: -111.495
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.000
local terms energy: -67.995252
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -17.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -104.798791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.798791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.798791 (E_RNA)
where:
Base-Base interactions energy: -42.259
where: short stacking energy: -35.476
Base-Backbone interact. energy: -0.085
local terms energy: -62.453982
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -85.593404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593404 (E_RNA)
where:
Base-Base interactions energy: -31.165
where: short stacking energy: -31.165
Base-Backbone interact. energy: -0.208
local terms energy: -54.220086
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -6.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -91.322780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322780 (E_RNA)
where:
Base-Base interactions energy: -41.993
where: short stacking energy: -41.993
Base-Backbone interact. energy: -0.064
local terms energy: -49.265962
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -8.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -85.250266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.250266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.250266 (E_RNA)
where:
Base-Base interactions energy: -29.140
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.046
local terms energy: -56.064531
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -9.526
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: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -70.333291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.333291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.333291 (E_RNA)
where:
Base-Base interactions energy: -25.207
where: short stacking energy: -23.261
Base-Backbone interact. energy: -0.964
local terms energy: -44.161529
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: 0.548
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -219.179143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.179143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.179143 (E_RNA)
where:
Base-Base interactions energy: -142.795
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.291
local terms energy: -76.093736
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -212.022110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.022110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.022110 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -71.337
Base-Backbone interact. energy: -0.959
local terms energy: -69.692341
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -8.038
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: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -223.194015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.194015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.194015 (E_RNA)
where:
Base-Base interactions energy: -138.008
where: short stacking energy: -74.495
Base-Backbone interact. energy: -0.016
local terms energy: -85.169950
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -215.207677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.207677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.207677 (E_RNA)
where:
Base-Base interactions energy: -138.735
where: short stacking energy: -70.092
Base-Backbone interact. energy: -0.858
local terms energy: -75.614342
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -177.997723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.997723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.997723 (E_RNA)
where:
Base-Base interactions energy: -111.732
where: short stacking energy: -54.797
Base-Backbone interact. energy: 0.907
local terms energy: -67.172012
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -13.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -91.494604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.494604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.494604 (E_RNA)
where:
Base-Base interactions energy: -34.999
where: short stacking energy: -34.999
Base-Backbone interact. energy: -0.626
local terms energy: -55.869629
where:
bonds (distance) C4'-P energy: -13.526
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -89.373578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373578 (E_RNA)
where:
Base-Base interactions energy: -33.385
where: short stacking energy: -33.385
Base-Backbone interact. energy: -0.075
local terms energy: -55.913520
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -79.819083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.819083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.819083 (E_RNA)
where:
Base-Base interactions energy: -27.186
where: short stacking energy: -27.186
Base-Backbone interact. energy: -0.027
local terms energy: -52.606839
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -0.017
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: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -75.560064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.560064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.560064 (E_RNA)
where:
Base-Base interactions energy: -25.386
where: short stacking energy: -25.257
Base-Backbone interact. energy: -0.222
local terms energy: -49.952043
where:
bonds (distance) C4'-P energy: -10.439
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -1.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -83.406498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.406498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.406498 (E_RNA)
where:
Base-Base interactions energy: -36.030
where: short stacking energy: -28.447
Base-Backbone interact. energy: 2.133
local terms energy: -49.509749
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -8.562
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: -3.299
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -220.110986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.110986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.110986 (E_RNA)
where:
Base-Base interactions energy: -143.958
where: short stacking energy: -73.135
Base-Backbone interact. energy: -0.010
local terms energy: -76.142882
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -209.366413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.366413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.366413 (E_RNA)
where:
Base-Base interactions energy: -142.228
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.265
local terms energy: -66.873498
where:
bonds (distance) C4'-P energy: -9.434
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -217.240721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.240721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.240721 (E_RNA)
where:
Base-Base interactions energy: -134.178
where: short stacking energy: -70.344
Base-Backbone interact. energy: -0.057
local terms energy: -83.005749
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -11.989
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -203.381140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.381140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.381140 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -65.344
Base-Backbone interact. energy: 0.020
local terms energy: -78.127370
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -184.713939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.713939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.713939 (E_RNA)
where:
Base-Base interactions energy: -115.960
where: short stacking energy: -56.206
Base-Backbone interact. energy: -0.016
local terms energy: -68.737213
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -100.666946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.666946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.666946 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -43.483
Base-Backbone interact. energy: -1.308
local terms energy: -55.876805
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -90.754820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754820 (E_RNA)
where:
Base-Base interactions energy: -42.253
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.303
local terms energy: -48.198939
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -83.039779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.039779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.039779 (E_RNA)
where:
Base-Base interactions energy: -37.654
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.405
local terms energy: -44.980361
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -6.549
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -80.158883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.158883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.158883 (E_RNA)
where:
Base-Base interactions energy: -25.987
where: short stacking energy: -16.871
Base-Backbone interact. energy: -0.741
local terms energy: -53.430928
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -5.492
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -92.826855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.826855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.826855 (E_RNA)
where:
Base-Base interactions energy: -40.896
where: short stacking energy: -40.896
Base-Backbone interact. energy: -0.026
local terms energy: -51.905437
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -1.541
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -220.479705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.479705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.479705 (E_RNA)
where:
Base-Base interactions energy: -141.764
where: short stacking energy: -70.680
Base-Backbone interact. energy: -0.031
local terms energy: -78.685023
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -195.393613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393613 (E_RNA)
where:
Base-Base interactions energy: -124.722
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.720
local terms energy: -69.952089
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -204.458115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.458115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.458115 (E_RNA)
where:
Base-Base interactions energy: -129.224
where: short stacking energy: -65.497
Base-Backbone interact. energy: -0.002
local terms energy: -75.232418
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -196.292544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292544 (E_RNA)
where:
Base-Base interactions energy: -122.085
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.005
local terms energy: -74.201972
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -20.368
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: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -184.311497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.311497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311497 (E_RNA)
where:
Base-Base interactions energy: -128.932
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.128
local terms energy: -55.251439
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -13.010
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: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -92.014894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.014894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.014894 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -23.363
Base-Backbone interact. energy: -0.462
local terms energy: -50.919069
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -100.873293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.873293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.873293 (E_RNA)
where:
Base-Base interactions energy: -45.894
where: short stacking energy: -40.265
Base-Backbone interact. energy: -0.126
local terms energy: -54.853517
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -82.368748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.368748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.368748 (E_RNA)
where:
Base-Base interactions energy: -26.963
where: short stacking energy: -26.963
Base-Backbone interact. energy: 0.453
local terms energy: -55.858361
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -8.274
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: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -75.768361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768361 (E_RNA)
where:
Base-Base interactions energy: -22.206
where: short stacking energy: -17.561
Base-Backbone interact. energy: -0.316
local terms energy: -53.246536
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -10.448
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: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -83.270341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.270341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.270341 (E_RNA)
where:
Base-Base interactions energy: -33.312
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.004
local terms energy: -49.953977
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -222.459178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.459178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.459178 (E_RNA)
where:
Base-Base interactions energy: -146.406
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.044
local terms energy: -76.008845
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -21.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -202.225599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.225599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.225599 (E_RNA)
where:
Base-Base interactions energy: -139.527
where: short stacking energy: -57.784
Base-Backbone interact. energy: -0.158
local terms energy: -62.540317
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -210.251377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.251377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.251377 (E_RNA)
where:
Base-Base interactions energy: -133.341
where: short stacking energy: -74.090
Base-Backbone interact. energy: -0.052
local terms energy: -76.858962
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -9.902
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: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -204.790342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.790342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.790342 (E_RNA)
where:
Base-Base interactions energy: -131.145
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.243
local terms energy: -73.401935
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -198.937480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.937480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.937480 (E_RNA)
where:
Base-Base interactions energy: -136.444
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.160
local terms energy: -62.333440
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.422
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: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -134.760013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.760013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.760013 (E_RNA)
where:
Base-Base interactions energy: -81.284
where: short stacking energy: -41.396
Base-Backbone interact. energy: 1.097
local terms energy: -54.573127
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -8.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -89.996810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.996810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.996810 (E_RNA)
where:
Base-Base interactions energy: -27.209
where: short stacking energy: -27.209
Base-Backbone interact. energy: -0.282
local terms energy: -62.505141
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -85.494443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.494443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.494443 (E_RNA)
where:
Base-Base interactions energy: -40.959
where: short stacking energy: -26.565
Base-Backbone interact. energy: 0.046
local terms energy: -44.580828
where:
bonds (distance) C4'-P energy: -7.855
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.901
tors. eta vs tors. theta energy: 0.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -85.887923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.887923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.887923 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -24.386
Base-Backbone interact. energy: -0.016
local terms energy: -52.639456
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -5.332
tors. eta vs tors. theta energy: -2.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -80.160231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.160231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.160231 (E_RNA)
where:
Base-Base interactions energy: -36.071
where: short stacking energy: -27.458
Base-Backbone interact. energy: -0.129
local terms energy: -43.960049
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -7.287
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -221.519221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.519221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.519221 (E_RNA)
where:
Base-Base interactions energy: -142.487
where: short stacking energy: -70.389
Base-Backbone interact. energy: -0.037
local terms energy: -78.995489
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -17.335
flat angles P-C4'-P energy: -10.731
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: 2, replica: 9
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -220.778716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.778716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.778716 (E_RNA)
where:
Base-Base interactions energy: -142.377
where: short stacking energy: -66.606
Base-Backbone interact. energy: 0.777
local terms energy: -79.178889
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -21.109
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: 445
Temperature: 1.000000
Total energy: -188.571205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.571205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.571205 (E_RNA)
where:
Base-Base interactions energy: -116.160
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.310
local terms energy: -72.100962
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -210.829385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.829385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.829385 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.029
local terms energy: -74.665057
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -203.133493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.133493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.133493 (E_RNA)
where:
Base-Base interactions energy: -133.352
where: short stacking energy: -64.184
Base-Backbone interact. energy: -0.590
local terms energy: -69.191391
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -128.374799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.374799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.374799 (E_RNA)
where:
Base-Base interactions energy: -74.776
where: short stacking energy: -40.382
Base-Backbone interact. energy: -0.425
local terms energy: -53.173503
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -88.319926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.319926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.319926 (E_RNA)
where:
Base-Base interactions energy: -29.438
where: short stacking energy: -29.438
Base-Backbone interact. energy: 0.308
local terms energy: -59.190418
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -5.775
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: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -88.365616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.365616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.365616 (E_RNA)
where:
Base-Base interactions energy: -25.539
where: short stacking energy: -24.326
Base-Backbone interact. energy: -0.118
local terms energy: -62.708848
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -91.403658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.403658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.403658 (E_RNA)
where:
Base-Base interactions energy: -38.706
where: short stacking energy: -37.035
Base-Backbone interact. energy: -0.204
local terms energy: -52.493806
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -7.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -77.158352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.158352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.158352 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -18.121
Base-Backbone interact. energy: -0.061
local terms energy: -43.933519
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.609
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: 1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -222.797498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.797498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.797498 (E_RNA)
where:
Base-Base interactions energy: -143.421
where: short stacking energy: -69.070
Base-Backbone interact. energy: -0.008
local terms energy: -79.368632
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -15.329
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -217.080932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080932 (E_RNA)
where:
Base-Base interactions energy: -138.051
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.360
local terms energy: -78.669725
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -20.105
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: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -213.365355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.365355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.365355 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -68.583
Base-Backbone interact. energy: -0.007
local terms energy: -77.458738
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -22.465
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: 6
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -200.964853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.964853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.964853 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -70.003
Base-Backbone interact. energy: 2.043
local terms energy: -74.807230
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.962
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: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -211.101476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.101476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.101476 (E_RNA)
where:
Base-Base interactions energy: -136.008
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.235
local terms energy: -74.858747
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -129.391718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.391718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.391718 (E_RNA)
where:
Base-Base interactions energy: -75.040
where: short stacking energy: -38.859
Base-Backbone interact. energy: -0.481
local terms energy: -53.870685
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: -7.682
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: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -89.462464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.462464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.462464 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -30.312
Base-Backbone interact. energy: -1.275
local terms energy: -52.724040
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -6.512
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: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -84.074233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.074233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.074233 (E_RNA)
where:
Base-Base interactions energy: -31.822
where: short stacking energy: -15.819
Base-Backbone interact. energy: -0.217
local terms energy: -52.035567
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -10.290
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: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -81.774656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.774656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.774656 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -27.253
Base-Backbone interact. energy: -0.290
local terms energy: -39.728613
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -4.761
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -1.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -67.414250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.414250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.414250 (E_RNA)
where:
Base-Base interactions energy: -21.873
where: short stacking energy: -20.791
Base-Backbone interact. energy: -0.120
local terms energy: -45.421679
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -8.484
flat angles P-C4'-P energy: -9.390
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -221.769256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.769256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.769256 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -81.179
Base-Backbone interact. energy: -0.025
local terms energy: -79.513692
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -23.350
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -221.588677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.588677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.588677 (E_RNA)
where:
Base-Base interactions energy: -140.126
where: short stacking energy: -65.119
Base-Backbone interact. energy: -0.039
local terms energy: -81.424427
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -19.871
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -210.953344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.953344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.953344 (E_RNA)
where:
Base-Base interactions energy: -133.758
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.509
local terms energy: -76.685967
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -209.586172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.586172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.586172 (E_RNA)
where:
Base-Base interactions energy: -135.382
where: short stacking energy: -73.505
Base-Backbone interact. energy: -0.032
local terms energy: -74.171910
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -187.781325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.781325 (E_RNA)
where:
Base-Base interactions energy: -115.715
where: short stacking energy: -64.952
Base-Backbone interact. energy: -0.062
local terms energy: -72.004504
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -12.189
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: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -139.799853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.799853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.799853 (E_RNA)
where:
Base-Base interactions energy: -78.255
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.170
local terms energy: -61.374714
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -89.408269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.408269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.408269 (E_RNA)
where:
Base-Base interactions energy: -42.292
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.605
local terms energy: -46.511875
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -89.564432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.564432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.564432 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -17.598
Base-Backbone interact. energy: 0.380
local terms energy: -38.116146
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.040
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: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -99.402615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.402615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.402615 (E_RNA)
where:
Base-Base interactions energy: -31.908
where: short stacking energy: -29.023
Base-Backbone interact. energy: -0.024
local terms energy: -67.470557
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -8.591
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: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -72.920295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.920295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.920295 (E_RNA)
where:
Base-Base interactions energy: -26.671
where: short stacking energy: -17.744
Base-Backbone interact. energy: -0.107
local terms energy: -46.142529
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.239
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -221.621218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.621218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.621218 (E_RNA)
where:
Base-Base interactions energy: -143.926
where: short stacking energy: -73.442
Base-Backbone interact. energy: -0.047
local terms energy: -77.648669
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -225.221754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.221754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.221754 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -78.814
Base-Backbone interact. energy: -0.035
local terms energy: -77.548315
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -214.569006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.569006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.569006 (E_RNA)
where:
Base-Base interactions energy: -139.458
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.022
local terms energy: -75.088756
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -207.377906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.377906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.377906 (E_RNA)
where:
Base-Base interactions energy: -137.193
where: short stacking energy: -70.330
Base-Backbone interact. energy: -1.115
local terms energy: -69.070535
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -20.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -200.216244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.216244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.216244 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -58.595
Base-Backbone interact. energy: -0.007
local terms energy: -77.469145
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -18.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -143.621785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.621785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.621785 (E_RNA)
where:
Base-Base interactions energy: -82.575
where: short stacking energy: -46.640
Base-Backbone interact. energy: -0.134
local terms energy: -60.912534
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -4.779
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -97.832983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.832983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.832983 (E_RNA)
where:
Base-Base interactions energy: -43.155
where: short stacking energy: -24.284
Base-Backbone interact. energy: -0.418
local terms energy: -54.259913
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -88.247851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.247851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.247851 (E_RNA)
where:
Base-Base interactions energy: -34.677
where: short stacking energy: -34.677
Base-Backbone interact. energy: -0.082
local terms energy: -53.488373
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -7.780
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -77.961745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.961745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.961745 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.129
local terms energy: -51.669825
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -72.189767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.189767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.189767 (E_RNA)
where:
Base-Base interactions energy: -29.905
where: short stacking energy: -21.919
Base-Backbone interact. energy: -0.407
local terms energy: -41.877700
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -10.892
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -213.259624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.259624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.259624 (E_RNA)
where:
Base-Base interactions energy: -136.251
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.010
local terms energy: -76.999426
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -10.864
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: 2, replica: 9
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -216.175088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.175088 (E_RNA)
where:
Base-Base interactions energy: -139.070
where: short stacking energy: -70.598
Base-Backbone interact. energy: -0.438
local terms energy: -76.666702
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -214.026316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.026316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.026316 (E_RNA)
where:
Base-Base interactions energy: -137.617
where: short stacking energy: -78.002
Base-Backbone interact. energy: -0.004
local terms energy: -76.405546
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -205.042118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.042118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.042118 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -61.561
Base-Backbone interact. energy: 0.234
local terms energy: -76.426348
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -13.191
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: 5, replica: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -198.530578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.530578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.530578 (E_RNA)
where:
Base-Base interactions energy: -124.042
where: short stacking energy: -64.055
Base-Backbone interact. energy: -0.021
local terms energy: -74.467241
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -161.584061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.584061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.584061 (E_RNA)
where:
Base-Base interactions energy: -105.211
where: short stacking energy: -44.120
Base-Backbone interact. energy: 1.041
local terms energy: -57.414513
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -7.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -94.333420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.333420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.333420 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -33.244
Base-Backbone interact. energy: 1.624
local terms energy: -61.556240
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -9.700
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: 449
Temperature: 1.250000
Total energy: -69.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.332636 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -20.375
Base-Backbone interact. energy: -1.611
local terms energy: -43.096700
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -83.989421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.989421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.989421 (E_RNA)
where:
Base-Base interactions energy: -40.034
where: short stacking energy: -36.462
Base-Backbone interact. energy: 0.174
local terms energy: -44.129247
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -4.583
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: 449
Temperature: 1.350000
Total energy: -73.314516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.314516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.314516 (E_RNA)
where:
Base-Base interactions energy: -27.248
where: short stacking energy: -27.248
Base-Backbone interact. energy: -0.045
local terms energy: -46.021850
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -220.407448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.407448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.407448 (E_RNA)
where:
Base-Base interactions energy: -141.547
where: short stacking energy: -66.084
Base-Backbone interact. energy: -0.064
local terms energy: -78.796997
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -19.723
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: 450
Temperature: 0.950000
Total energy: -218.011111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.011111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.011111 (E_RNA)
where:
Base-Base interactions energy: -138.677
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.292
local terms energy: -79.041754
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -18.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -198.264484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.264484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.264484 (E_RNA)
where:
Base-Base interactions energy: -126.753
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.002
local terms energy: -71.508902
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -203.627199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.627199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.627199 (E_RNA)
where:
Base-Base interactions energy: -139.153
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.087
local terms energy: -64.387538
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -163.317313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.317313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.317313 (E_RNA)
where:
Base-Base interactions energy: -98.497
where: short stacking energy: -42.294
Base-Backbone interact. energy: -0.206
local terms energy: -64.614657
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -10.019
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: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -154.638870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.638870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.638870 (E_RNA)
where:
Base-Base interactions energy: -91.416
where: short stacking energy: -48.000
Base-Backbone interact. energy: -0.015
local terms energy: -63.207716
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -13.226
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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -91.462647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.462647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.462647 (E_RNA)
where:
Base-Base interactions energy: -36.168
where: short stacking energy: -36.914
Base-Backbone interact. energy: -0.067
local terms energy: -55.227953
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -7.497
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: 8, replica: 10
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -81.161037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.161037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.161037 (E_RNA)
where:
Base-Base interactions energy: -31.543
where: short stacking energy: -20.393
Base-Backbone interact. energy: -0.121
local terms energy: -49.496476
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -6.906
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: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -82.324173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.324173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.324173 (E_RNA)
where:
Base-Base interactions energy: -33.745
where: short stacking energy: -30.517
Base-Backbone interact. energy: -0.266
local terms energy: -48.312605
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -8.483
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -4.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -83.004638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.004638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.004638 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -18.926
Base-Backbone interact. energy: -0.149
local terms energy: -55.117441
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -6.853
tors. eta vs tors. theta energy: -2.882
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)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -223.773139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.773139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.773139 (E_RNA)
where:
Base-Base interactions energy: -142.061
where: short stacking energy: -72.489
Base-Backbone interact. energy: -0.022
local terms energy: -81.690030
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -20.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -215.268995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.268995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.268995 (E_RNA)
where:
Base-Base interactions energy: -136.935
where: short stacking energy: -71.817
Base-Backbone interact. energy: -0.033
local terms energy: -78.300349
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -19.957
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: 4
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -201.588958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.588958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.588958 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -64.849
Base-Backbone interact. energy: -0.002
local terms energy: -75.877230
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -207.267233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.267233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.267233 (E_RNA)
where:
Base-Base interactions energy: -128.728
where: short stacking energy: -61.330
Base-Backbone interact. energy: -0.770
local terms energy: -77.768527
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -176.766186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.766186 (E_RNA)
where:
Base-Base interactions energy: -119.154
where: short stacking energy: -47.542
Base-Backbone interact. energy: -0.216
local terms energy: -57.396020
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -9.192
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -11.878
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: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -146.402486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.402486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.402486 (E_RNA)
where:
Base-Base interactions energy: -88.693
where: short stacking energy: -49.695
Base-Backbone interact. energy: -0.059
local terms energy: -57.649966
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -12.036
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: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -86.719191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.719191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.719191 (E_RNA)
where:
Base-Base interactions energy: -36.916
where: short stacking energy: -33.485
Base-Backbone interact. energy: 0.358
local terms energy: -50.161616
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -82.500601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.500601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.500601 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.113
local terms energy: -47.084544
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.802991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.802991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.802991 (E_RNA)
where:
Base-Base interactions energy: -27.701
where: short stacking energy: -27.701
Base-Backbone interact. energy: -0.180
local terms energy: -51.922039
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -0.526
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: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -72.895757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.895757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.895757 (E_RNA)
where:
Base-Base interactions energy: -30.304
where: short stacking energy: -12.322
Base-Backbone interact. energy: -0.088
local terms energy: -42.503351
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -10.064
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -226.793406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.793406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.793406 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -74.025
Base-Backbone interact. energy: 1.133
local terms energy: -87.092379
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -208.252210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.252210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.252210 (E_RNA)
where:
Base-Base interactions energy: -131.698
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.002
local terms energy: -76.551663
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -20.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -204.743442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.743442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.743442 (E_RNA)
where:
Base-Base interactions energy: -130.007
where: short stacking energy: -66.639
Base-Backbone interact. energy: -0.921
local terms energy: -73.815963
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -209.508028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.508028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.508028 (E_RNA)
where:
Base-Base interactions energy: -134.693
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.153
local terms energy: -74.662072
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -175.947233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947233 (E_RNA)
where:
Base-Base interactions energy: -111.300
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.479
local terms energy: -64.168511
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -9.900
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: 452
Temperature: 1.150000
Total energy: -129.470616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.470616 (E_RNA)
where:
Base-Base interactions energy: -76.324
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.842
local terms energy: -52.304580
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -90.718756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.718756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.718756 (E_RNA)
where:
Base-Base interactions energy: -35.824
where: short stacking energy: -17.532
Base-Backbone interact. energy: -0.790
local terms energy: -54.105285
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -106.840062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.840062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.840062 (E_RNA)
where:
Base-Base interactions energy: -48.830
where: short stacking energy: -36.722
Base-Backbone interact. energy: -0.043
local terms energy: -57.967746
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -9.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -74.865240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.865240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.865240 (E_RNA)
where:
Base-Base interactions energy: -18.074
where: short stacking energy: -18.074
Base-Backbone interact. energy: -0.150
local terms energy: -56.641381
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -4.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -71.656511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.656511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.656511 (E_RNA)
where:
Base-Base interactions energy: -24.216
where: short stacking energy: -16.217
Base-Backbone interact. energy: -0.454
local terms energy: -46.986791
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: 4.331
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -222.252456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.252456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.252456 (E_RNA)
where:
Base-Base interactions energy: -141.724
where: short stacking energy: -72.481
Base-Backbone interact. energy: -0.083
local terms energy: -80.445870
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -22.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -215.842809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.842809 (E_RNA)
where:
Base-Base interactions energy: -139.744
where: short stacking energy: -74.387
Base-Backbone interact. energy: -0.192
local terms energy: -75.906906
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -215.294765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.294765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.294765 (E_RNA)
where:
Base-Base interactions energy: -141.025
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.036
local terms energy: -74.233940
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -211.607125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.607125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.607125 (E_RNA)
where:
Base-Base interactions energy: -138.976
where: short stacking energy: -71.894
Base-Backbone interact. energy: -0.086
local terms energy: -72.545241
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -165.990568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.990568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.990568 (E_RNA)
where:
Base-Base interactions energy: -111.163
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.208
local terms energy: -54.619189
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -131.729052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.729052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.729052 (E_RNA)
where:
Base-Base interactions energy: -74.342
where: short stacking energy: -36.286
Base-Backbone interact. energy: -1.308
local terms energy: -56.079135
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -3.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -91.068366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.068366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.068366 (E_RNA)
where:
Base-Base interactions energy: -40.142
where: short stacking energy: -28.285
Base-Backbone interact. energy: 0.313
local terms energy: -51.239056
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -9.779
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -77.165521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.165521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.165521 (E_RNA)
where:
Base-Base interactions energy: -30.340
where: short stacking energy: -19.380
Base-Backbone interact. energy: -0.471
local terms energy: -46.354576
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -79.454361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454361 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -29.800
Base-Backbone interact. energy: 0.629
local terms energy: -50.252158
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -81.160840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160840 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -25.268
Base-Backbone interact. energy: -0.102
local terms energy: -43.951125
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -9.732
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -220.809182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.809182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.809182 (E_RNA)
where:
Base-Base interactions energy: -143.656
where: short stacking energy: -71.285
Base-Backbone interact. energy: -1.139
local terms energy: -76.014869
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -20.265
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: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -218.741249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.741249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741249 (E_RNA)
where:
Base-Base interactions energy: -140.426
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.010
local terms energy: -78.305712
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -22.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -208.993547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.993547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.993547 (E_RNA)
where:
Base-Base interactions energy: -142.274
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.058
local terms energy: -66.661738
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -10.074
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -13.701
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -203.314455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.314455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.314455 (E_RNA)
where:
Base-Base interactions energy: -132.107
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.155
local terms energy: -71.052048
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -168.216393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.216393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.216393 (E_RNA)
where:
Base-Base interactions energy: -100.623
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.024
local terms energy: -67.569421
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -99.208560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.208560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.208560 (E_RNA)
where:
Base-Base interactions energy: -43.379
where: short stacking energy: -26.498
Base-Backbone interact. energy: 0.673
local terms energy: -56.502675
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: 0.181
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: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -102.713365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.713365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.713365 (E_RNA)
where:
Base-Base interactions energy: -44.627
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.932
local terms energy: -57.153699
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -8.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -93.109579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.109579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.109579 (E_RNA)
where:
Base-Base interactions energy: -43.271
where: short stacking energy: -34.718
Base-Backbone interact. energy: -0.145
local terms energy: -49.693905
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -15.161
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -5.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -91.875064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.875064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.875064 (E_RNA)
where:
Base-Base interactions energy: -49.307
where: short stacking energy: -28.024
Base-Backbone interact. energy: -0.820
local terms energy: -41.748148
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -11.192
flat angles C4'-P-C4' energy: -8.632
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -1.525
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: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -81.204058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.204058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.204058 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -30.158
Base-Backbone interact. energy: 2.227
local terms energy: -52.706364
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -6.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -219.971255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.971255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.971255 (E_RNA)
where:
Base-Base interactions energy: -139.098
where: short stacking energy: -72.802
Base-Backbone interact. energy: 0.065
local terms energy: -80.938107
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -22.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -210.912131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.912131 (E_RNA)
where:
Base-Base interactions energy: -134.158
where: short stacking energy: -68.086
Base-Backbone interact. energy: 0.135
local terms energy: -76.889027
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -19.901
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: 6
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -210.602695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.602695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.602695 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -67.620
Base-Backbone interact. energy: -0.417
local terms energy: -77.559085
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -19.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -188.013051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.013051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.013051 (E_RNA)
where:
Base-Base interactions energy: -118.321
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.314
local terms energy: -69.378241
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -164.518264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.518264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.518264 (E_RNA)
where:
Base-Base interactions energy: -100.777
where: short stacking energy: -53.440
Base-Backbone interact. energy: -0.500
local terms energy: -63.241279
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -10.445
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -10.911
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: 455
Temperature: 1.150000
Total energy: -92.599267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.599267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.599267 (E_RNA)
where:
Base-Base interactions energy: -43.923
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.031
local terms energy: -48.645244
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -6.918
tors. eta vs tors. theta energy: -7.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -85.416720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.416720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.416720 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -22.109
Base-Backbone interact. energy: -0.029
local terms energy: -44.150247
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: 1.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -80.871826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.871826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.871826 (E_RNA)
where:
Base-Base interactions energy: -34.292
where: short stacking energy: -33.134
Base-Backbone interact. energy: -0.387
local terms energy: -46.193661
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -2.391
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: 9, replica: 8
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -83.458615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458615 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -17.089
Base-Backbone interact. energy: -0.221
local terms energy: -41.910891
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -3.911
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -70.175402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.175402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.175402 (E_RNA)
where:
Base-Base interactions energy: -23.318
where: short stacking energy: -19.726
Base-Backbone interact. energy: -0.100
local terms energy: -46.757476
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -4.717
tors. eta vs tors. theta energy: -1.366
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -218.729734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.729734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.729734 (E_RNA)
where:
Base-Base interactions energy: -136.777
where: short stacking energy: -68.044
Base-Backbone interact. energy: -0.323
local terms energy: -81.629530
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -22.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -217.271909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.271909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.271909 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -74.834
Base-Backbone interact. energy: -0.050
local terms energy: -79.468776
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -22.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -226.133847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.133847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.133847 (E_RNA)
where:
Base-Base interactions energy: -147.462
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.081
local terms energy: -78.590930
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -21.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -208.481962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481962 (E_RNA)
where:
Base-Base interactions energy: -126.580
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.443
local terms energy: -81.458958
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -22.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -99.966469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.966469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.966469 (E_RNA)
where:
Base-Base interactions energy: -51.831
where: short stacking energy: -27.629
Base-Backbone interact. energy: -0.092
local terms energy: -48.043598
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -2.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -188.701595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.701595 (E_RNA)
where:
Base-Base interactions energy: -118.042
where: short stacking energy: -53.390
Base-Backbone interact. energy: -0.461
local terms energy: -70.198741
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -112.999469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.999469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.999469 (E_RNA)
where:
Base-Base interactions energy: -60.734
where: short stacking energy: -25.604
Base-Backbone interact. energy: -0.089
local terms energy: -52.176413
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -90.886230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.886230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.886230 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -26.038
Base-Backbone interact. energy: -0.614
local terms energy: -51.748449
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -6.101
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: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -85.961797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.961797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.961797 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -32.927
Base-Backbone interact. energy: -0.071
local terms energy: -50.083213
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -3.452
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -79.157808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.157808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.157808 (E_RNA)
where:
Base-Base interactions energy: -29.041
where: short stacking energy: -16.317
Base-Backbone interact. energy: -0.495
local terms energy: -49.621916
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -1.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -219.444858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.444858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.444858 (E_RNA)
where:
Base-Base interactions energy: -140.078
where: short stacking energy: -70.947
Base-Backbone interact. energy: -0.011
local terms energy: -79.355278
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -19.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -214.652782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652782 (E_RNA)
where:
Base-Base interactions energy: -136.543
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.039
local terms energy: -78.071201
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -21.387
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: 457
Temperature: 1.000000
Total energy: -220.141528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.141528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.141528 (E_RNA)
where:
Base-Base interactions energy: -142.185
where: short stacking energy: -73.092
Base-Backbone interact. energy: -0.017
local terms energy: -77.939104
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -200.821063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.821063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.821063 (E_RNA)
where:
Base-Base interactions energy: -131.593
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.613
local terms energy: -68.615072
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -94.989499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.989499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.989499 (E_RNA)
where:
Base-Base interactions energy: -32.841
where: short stacking energy: -29.270
Base-Backbone interact. energy: -0.409
local terms energy: -61.739039
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -12.600
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: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -188.495000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.495000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.495000 (E_RNA)
where:
Base-Base interactions energy: -116.192
where: short stacking energy: -59.063
Base-Backbone interact. energy: 1.297
local terms energy: -73.600653
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -130.443179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.443179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.443179 (E_RNA)
where:
Base-Base interactions energy: -81.953
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.367
local terms energy: -48.122661
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -88.535123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.535123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.535123 (E_RNA)
where:
Base-Base interactions energy: -36.063
where: short stacking energy: -22.215
Base-Backbone interact. energy: -0.198
local terms energy: -52.274039
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -86.489296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489296 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -32.676
Base-Backbone interact. energy: -0.037
local terms energy: -50.079749
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -9.515
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: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -75.804003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.804003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.804003 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.110
local terms energy: -46.154081
where:
bonds (distance) C4'-P energy: -15.534
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -2.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -225.620982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.620982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.620982 (E_RNA)
where:
Base-Base interactions energy: -143.132
where: short stacking energy: -72.059
Base-Backbone interact. energy: -0.020
local terms energy: -82.469425
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -20.062
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: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -223.305604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.305604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.305604 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -64.771
Base-Backbone interact. energy: 0.493
local terms energy: -72.483221
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -219.716464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.716464 (E_RNA)
where:
Base-Base interactions energy: -141.712
where: short stacking energy: -74.412
Base-Backbone interact. energy: -0.319
local terms energy: -77.685264
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -20.808
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: 4, replica: 4
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -195.269211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.269211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.269211 (E_RNA)
where:
Base-Base interactions energy: -123.704
where: short stacking energy: -54.309
Base-Backbone interact. energy: -0.635
local terms energy: -70.930307
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -17.345
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: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -178.043127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.043127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.043127 (E_RNA)
where:
Base-Base interactions energy: -117.992
where: short stacking energy: -49.346
Base-Backbone interact. energy: -0.230
local terms energy: -59.821265
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -90.699026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.699026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.699026 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -33.486
Base-Backbone interact. energy: -0.197
local terms energy: -57.015696
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -4.674
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: 7
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -140.193235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.193235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.193235 (E_RNA)
where:
Base-Base interactions energy: -75.309
where: short stacking energy: -38.728
Base-Backbone interact. energy: -0.209
local terms energy: -64.675923
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -10.211
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: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -80.110142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.110142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.110142 (E_RNA)
where:
Base-Base interactions energy: -30.298
where: short stacking energy: -30.298
Base-Backbone interact. energy: 0.546
local terms energy: -50.358029
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -8.981
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: 9, replica: 8
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -95.328215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.328215 (E_RNA)
where:
Base-Base interactions energy: -57.191
where: short stacking energy: -40.114
Base-Backbone interact. energy: -0.169
local terms energy: -37.968503
where:
bonds (distance) C4'-P energy: 0.094
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -80.352223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.352223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.352223 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -17.170
Base-Backbone interact. energy: -0.792
local terms energy: -48.261964
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -9.477
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -221.822107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.822107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.822107 (E_RNA)
where:
Base-Base interactions energy: -140.695
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.049
local terms energy: -81.077440
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -206.055070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.055070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.055070 (E_RNA)
where:
Base-Base interactions energy: -138.970
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.004
local terms energy: -67.081771
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -7.305
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: 3, replica: 6
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -206.141316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.141316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.141316 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -63.396
Base-Backbone interact. energy: -1.229
local terms energy: -75.481887
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -193.482080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.482080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.482080 (E_RNA)
where:
Base-Base interactions energy: -120.663
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.242
local terms energy: -72.576761
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -10.890
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: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -195.223636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.223636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.223636 (E_RNA)
where:
Base-Base interactions energy: -125.945
where: short stacking energy: -66.952
Base-Backbone interact. energy: -0.053
local terms energy: -69.224804
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -10.425
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -8.576
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: 6, replica: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -150.828592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.828592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.828592 (E_RNA)
where:
Base-Base interactions energy: -97.800
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.289
local terms energy: -52.739660
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -87.040878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040878 (E_RNA)
where:
Base-Base interactions energy: -35.323
where: short stacking energy: -31.596
Base-Backbone interact. energy: 0.082
local terms energy: -51.799798
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -80.800429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.800429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.800429 (E_RNA)
where:
Base-Base interactions energy: -42.813
where: short stacking energy: -33.558
Base-Backbone interact. energy: -0.268
local terms energy: -37.719127
where:
bonds (distance) C4'-P energy: -8.013
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -3.250
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -84.024225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.024225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.024225 (E_RNA)
where:
Base-Base interactions energy: -36.739
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.229
local terms energy: -47.055556
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -14.246
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.336611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.336611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.336611 (E_RNA)
where:
Base-Base interactions energy: -25.419
where: short stacking energy: -21.099
Base-Backbone interact. energy: -0.055
local terms energy: -48.862839
where:
bonds (distance) C4'-P energy: -8.442
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -225.824632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.824632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.824632 (E_RNA)
where:
Base-Base interactions energy: -142.530
where: short stacking energy: -68.498
Base-Backbone interact. energy: 0.649
local terms energy: -83.943092
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -208.548530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.548530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.548530 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -63.747
Base-Backbone interact. energy: -0.020
local terms energy: -81.436385
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -12.723
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: 3, replica: 6
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -200.530606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.530606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.530606 (E_RNA)
where:
Base-Base interactions energy: -127.250
where: short stacking energy: -66.586
Base-Backbone interact. energy: -0.335
local terms energy: -72.945862
where:
bonds (distance) C4'-P energy: -16.099
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -19.833
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: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -190.947101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.947101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.947101 (E_RNA)
where:
Base-Base interactions energy: -123.843
where: short stacking energy: -61.368
Base-Backbone interact. energy: -0.077
local terms energy: -67.027585
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -16.046
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: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -156.284350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.284350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.284350 (E_RNA)
where:
Base-Base interactions energy: -93.751
where: short stacking energy: -34.164
Base-Backbone interact. energy: -1.045
local terms energy: -61.488142
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -6.602
tors. eta vs tors. theta energy: -11.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -194.371297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.371297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.371297 (E_RNA)
where:
Base-Base interactions energy: -124.194
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.362
local terms energy: -69.814750
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -3.445
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -102.610191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.610191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.610191 (E_RNA)
where:
Base-Base interactions energy: -50.307
where: short stacking energy: -33.254
Base-Backbone interact. energy: 1.104
local terms energy: -53.407248
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -85.837472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.837472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.837472 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -27.526
Base-Backbone interact. energy: -0.139
local terms energy: -49.748350
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -1.780
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: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -93.551912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.551912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.551912 (E_RNA)
where:
Base-Base interactions energy: -36.997
where: short stacking energy: -32.794
Base-Backbone interact. energy: -0.016
local terms energy: -56.539781
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -5.574
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: 10, replica: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -75.336184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.336184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.336184 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -31.172
Base-Backbone interact. energy: 0.264
local terms energy: -43.533399
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -217.589984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.589984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.589984 (E_RNA)
where:
Base-Base interactions energy: -141.412
where: short stacking energy: -69.158
Base-Backbone interact. energy: -0.139
local terms energy: -76.038926
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -17.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -198.974175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.974175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.974175 (E_RNA)
where:
Base-Base interactions energy: -128.350
where: short stacking energy: -61.081
Base-Backbone interact. energy: -0.503
local terms energy: -70.121144
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -17.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -210.582415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.582415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.582415 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.001
local terms energy: -70.797040
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -9.088
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -198.190513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.190513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.190513 (E_RNA)
where:
Base-Base interactions energy: -127.174
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.156
local terms energy: -70.860146
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -182.130542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.130542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.130542 (E_RNA)
where:
Base-Base interactions energy: -115.396
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.332
local terms energy: -66.402700
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -187.935703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.935703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.935703 (E_RNA)
where:
Base-Base interactions energy: -118.524
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.005
local terms energy: -69.406939
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -111.417265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.417265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.417265 (E_RNA)
where:
Base-Base interactions energy: -67.165
where: short stacking energy: -37.510
Base-Backbone interact. energy: -0.077
local terms energy: -44.175055
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -80.199722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.199722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.199722 (E_RNA)
where:
Base-Base interactions energy: -24.154
where: short stacking energy: -24.154
Base-Backbone interact. energy: -0.670
local terms energy: -55.375254
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.590
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: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -87.907002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.907002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.907002 (E_RNA)
where:
Base-Base interactions energy: -40.853
where: short stacking energy: -31.221
Base-Backbone interact. energy: -0.066
local terms energy: -46.988088
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -71.580463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.580463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.580463 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -24.788
Base-Backbone interact. energy: 2.851
local terms energy: -41.541137
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -3.540
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -223.291487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.291487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.291487 (E_RNA)
where:
Base-Base interactions energy: -144.826
where: short stacking energy: -67.105
Base-Backbone interact. energy: -0.241
local terms energy: -78.224380
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -18.997
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: 462
Temperature: 0.950000
Total energy: -217.316674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.316674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.316674 (E_RNA)
where:
Base-Base interactions energy: -140.325
where: short stacking energy: -73.384
Base-Backbone interact. energy: -0.687
local terms energy: -76.304464
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -195.830614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.830614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.830614 (E_RNA)
where:
Base-Base interactions energy: -125.600
where: short stacking energy: -56.388
Base-Backbone interact. energy: 0.116
local terms energy: -70.345924
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -215.418239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.418239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.418239 (E_RNA)
where:
Base-Base interactions energy: -134.432
where: short stacking energy: -68.084
Base-Backbone interact. energy: -0.012
local terms energy: -80.974179
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -22.740
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: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -189.282608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.282608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.282608 (E_RNA)
where:
Base-Base interactions energy: -118.949
where: short stacking energy: -64.257
Base-Backbone interact. energy: -1.107
local terms energy: -69.226574
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -20.554
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: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -167.073065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.073065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.073065 (E_RNA)
where:
Base-Base interactions energy: -108.218
where: short stacking energy: -51.963
Base-Backbone interact. energy: -0.054
local terms energy: -58.800850
where:
bonds (distance) C4'-P energy: -5.684
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -14.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -94.971676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.971676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.971676 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -28.585
Base-Backbone interact. energy: -0.039
local terms energy: -55.465954
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -116.314107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.314107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.314107 (E_RNA)
where:
Base-Base interactions energy: -61.647
where: short stacking energy: -33.863
Base-Backbone interact. energy: -0.428
local terms energy: -54.239381
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -7.116
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -75.747086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.747086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.747086 (E_RNA)
where:
Base-Base interactions energy: -24.955
where: short stacking energy: -24.955
Base-Backbone interact. energy: -0.143
local terms energy: -50.649644
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -74.363109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.363109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.363109 (E_RNA)
where:
Base-Base interactions energy: -27.431
where: short stacking energy: -19.564
Base-Backbone interact. energy: 0.002
local terms energy: -46.934019
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -216.452155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.452155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.452155 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.041
local terms energy: -76.258598
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -219.829778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.829778 (E_RNA)
where:
Base-Base interactions energy: -138.979
where: short stacking energy: -71.121
Base-Backbone interact. energy: -0.286
local terms energy: -80.564107
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -12.432
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: 3, replica: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -210.033657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.033657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.033657 (E_RNA)
where:
Base-Base interactions energy: -132.950
where: short stacking energy: -67.179
Base-Backbone interact. energy: 0.404
local terms energy: -77.487640
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -212.018330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.018330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018330 (E_RNA)
where:
Base-Base interactions energy: -133.641
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.054
local terms energy: -78.323162
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -182.718403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.718403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.718403 (E_RNA)
where:
Base-Base interactions energy: -117.554
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.079
local terms energy: -65.085571
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -10.811
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: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -185.225744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.225744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.225744 (E_RNA)
where:
Base-Base interactions energy: -117.216
where: short stacking energy: -49.328
Base-Backbone interact. energy: -0.050
local terms energy: -67.959276
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -98.738354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.738354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.738354 (E_RNA)
where:
Base-Base interactions energy: -43.440
where: short stacking energy: -43.440
Base-Backbone interact. energy: 0.592
local terms energy: -55.890053
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -13.497
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: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -112.245547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.245547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.245547 (E_RNA)
where:
Base-Base interactions energy: -51.327
where: short stacking energy: -25.517
Base-Backbone interact. energy: -0.699
local terms energy: -60.219870
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -5.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -85.150075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.150075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.150075 (E_RNA)
where:
Base-Base interactions energy: -32.157
where: short stacking energy: -18.561
Base-Backbone interact. energy: -0.073
local terms energy: -52.919606
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -0.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -77.215285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.215285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.215285 (E_RNA)
where:
Base-Base interactions energy: -40.288
where: short stacking energy: -32.300
Base-Backbone interact. energy: 0.134
local terms energy: -37.061206
where:
bonds (distance) C4'-P energy: -7.892
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -6.977
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -219.889012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.889012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.889012 (E_RNA)
where:
Base-Base interactions energy: -143.318
where: short stacking energy: -77.446
Base-Backbone interact. energy: -0.017
local terms energy: -76.553494
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -215.676827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.676827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.676827 (E_RNA)
where:
Base-Base interactions energy: -137.756
where: short stacking energy: -67.754
Base-Backbone interact. energy: -0.116
local terms energy: -77.804333
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -16.896
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: 9
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -206.358338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358338 (E_RNA)
where:
Base-Base interactions energy: -134.338
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.002
local terms energy: -72.018210
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -186.578884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.578884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.578884 (E_RNA)
where:
Base-Base interactions energy: -123.956
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.002
local terms energy: -62.620627
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -169.886283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.886283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.886283 (E_RNA)
where:
Base-Base interactions energy: -106.143
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.125
local terms energy: -63.618259
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -163.439363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.439363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.439363 (E_RNA)
where:
Base-Base interactions energy: -99.319
where: short stacking energy: -43.792
Base-Backbone interact. energy: 0.303
local terms energy: -64.423983
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -89.721666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721666 (E_RNA)
where:
Base-Base interactions energy: -43.054
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.295
local terms energy: -46.372396
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -92.322006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.322006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.322006 (E_RNA)
where:
Base-Base interactions energy: -43.214
where: short stacking energy: -36.516
Base-Backbone interact. energy: -0.110
local terms energy: -48.997607
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -2.134
tors. eta vs tors. theta energy: -8.402
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: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -89.099263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.099263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.099263 (E_RNA)
where:
Base-Base interactions energy: -41.669
where: short stacking energy: -27.605
Base-Backbone interact. energy: -0.110
local terms energy: -47.320072
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -7.244
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: 10, replica: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.542357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542357 (E_RNA)
where:
Base-Base interactions energy: -32.864
where: short stacking energy: -24.855
Base-Backbone interact. energy: -0.216
local terms energy: -44.461781
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -5.272
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -219.918394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.918394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.918394 (E_RNA)
where:
Base-Base interactions energy: -137.120
where: short stacking energy: -68.683
Base-Backbone interact. energy: -0.005
local terms energy: -82.792794
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.053
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -21.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -215.641047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.641047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.641047 (E_RNA)
where:
Base-Base interactions energy: -142.806
where: short stacking energy: -70.620
Base-Backbone interact. energy: -0.015
local terms energy: -72.819943
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -10.198
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: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -197.236334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.236334 (E_RNA)
where:
Base-Base interactions energy: -123.788
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.846
local terms energy: -72.602383
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -193.096961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.096961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.096961 (E_RNA)
where:
Base-Base interactions energy: -124.507
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.001
local terms energy: -68.589271
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -187.998222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998222 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -51.466
Base-Backbone interact. energy: -0.054
local terms energy: -65.367753
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -13.214
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -171.685570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.685570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.685570 (E_RNA)
where:
Base-Base interactions energy: -108.042
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.400
local terms energy: -63.243248
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -88.795559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.795559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.795559 (E_RNA)
where:
Base-Base interactions energy: -38.238
where: short stacking energy: -24.250
Base-Backbone interact. energy: -0.754
local terms energy: -49.804222
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -10.943
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -84.012583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.012583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.012583 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -23.271
Base-Backbone interact. energy: 0.139
local terms energy: -51.004942
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -75.824931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.824931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.824931 (E_RNA)
where:
Base-Base interactions energy: -27.355
where: short stacking energy: -20.227
Base-Backbone interact. energy: -0.308
local terms energy: -48.161982
where:
bonds (distance) C4'-P energy: -6.562
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -73.092080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.092080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.092080 (E_RNA)
where:
Base-Base interactions energy: -24.470
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.176
local terms energy: -48.446697
where:
bonds (distance) C4'-P energy: -8.907
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -0.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -230.057474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.057474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.057474 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -71.691
Base-Backbone interact. energy: -0.063
local terms energy: -80.843418
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -20.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -216.353803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.353803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.353803 (E_RNA)
where:
Base-Base interactions energy: -140.019
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.506
local terms energy: -75.828817
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.375
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -12.517
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: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -197.209212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.209212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209212 (E_RNA)
where:
Base-Base interactions energy: -127.051
where: short stacking energy: -55.502
Base-Backbone interact. energy: -1.142
local terms energy: -69.015590
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -15.095
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: 7
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -194.182370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.182370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.182370 (E_RNA)
where:
Base-Base interactions energy: -119.935
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.533
local terms energy: -73.714887
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -17.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -188.212376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.212376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.212376 (E_RNA)
where:
Base-Base interactions energy: -119.529
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.040
local terms energy: -68.643881
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.932
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: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -182.304061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.304061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.304061 (E_RNA)
where:
Base-Base interactions energy: -118.128
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.709
local terms energy: -63.466573
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -19.053
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: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -89.621053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.621053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.621053 (E_RNA)
where:
Base-Base interactions energy: -36.036
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.234
local terms energy: -53.351332
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -79.624949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.624949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.624949 (E_RNA)
where:
Base-Base interactions energy: -27.093
where: short stacking energy: -24.415
Base-Backbone interact. energy: -0.234
local terms energy: -52.297132
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -3.746
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -86.665544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.665544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.665544 (E_RNA)
where:
Base-Base interactions energy: -35.109
where: short stacking energy: -35.109
Base-Backbone interact. energy: -0.136
local terms energy: -51.420161
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -6.272
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: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.496433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496433 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -25.528
Base-Backbone interact. energy: 0.035
local terms energy: -50.371119
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -4.728
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)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -222.895533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.895533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.895533 (E_RNA)
where:
Base-Base interactions energy: -143.257
where: short stacking energy: -76.738
Base-Backbone interact. energy: -0.676
local terms energy: -78.962644
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -218.199398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.199398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.199398 (E_RNA)
where:
Base-Base interactions energy: -143.596
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.053
local terms energy: -74.550820
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -12.205
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -190.613777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.613777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.613777 (E_RNA)
where:
Base-Base interactions energy: -125.025
where: short stacking energy: -59.853
Base-Backbone interact. energy: -0.134
local terms energy: -65.454428
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -14.345
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: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -194.982140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.982140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.982140 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -69.929
Base-Backbone interact. energy: -0.054
local terms energy: -62.332031
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -198.163580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.163580 (E_RNA)
where:
Base-Base interactions energy: -125.975
where: short stacking energy: -58.263
Base-Backbone interact. energy: 0.261
local terms energy: -72.449679
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -184.279901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.279901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.279901 (E_RNA)
where:
Base-Base interactions energy: -118.000
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.114
local terms energy: -66.166159
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -5.370
tors. eta vs tors. theta energy: -19.174
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: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -94.985628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.985628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.985628 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.189
local terms energy: -56.556316
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -7.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -77.811655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.811655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.811655 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.085
local terms energy: -43.943105
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -11.005
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -79.950508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.950508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.950508 (E_RNA)
where:
Base-Base interactions energy: -34.666
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.048
local terms energy: -45.236551
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -3.025
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -70.834095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.834095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.834095 (E_RNA)
where:
Base-Base interactions energy: -22.941
where: short stacking energy: -22.941
Base-Backbone interact. energy: -0.320
local terms energy: -47.572268
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -222.445371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.445371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.445371 (E_RNA)
where:
Base-Base interactions energy: -143.825
where: short stacking energy: -69.993
Base-Backbone interact. energy: -0.106
local terms energy: -78.514485
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -200.553425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.553425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.553425 (E_RNA)
where:
Base-Base interactions energy: -121.302
where: short stacking energy: -66.829
Base-Backbone interact. energy: -0.571
local terms energy: -78.680873
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -20.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -221.396705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.396705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.396705 (E_RNA)
where:
Base-Base interactions energy: -145.214
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.105
local terms energy: -76.077328
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -190.795986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.795986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.795986 (E_RNA)
where:
Base-Base interactions energy: -119.269
where: short stacking energy: -53.986
Base-Backbone interact. energy: -0.209
local terms energy: -71.318700
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -13.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -196.952274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.952274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.952274 (E_RNA)
where:
Base-Base interactions energy: -117.775
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.072
local terms energy: -79.105308
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -196.052012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.052012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.052012 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.081
local terms energy: -65.687173
where:
bonds (distance) C4'-P energy: -10.174
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -14.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -87.849037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.849037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.849037 (E_RNA)
where:
Base-Base interactions energy: -31.853
where: short stacking energy: -31.853
Base-Backbone interact. energy: -0.076
local terms energy: -55.920535
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -87.348928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348928 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -24.260
Base-Backbone interact. energy: -0.345
local terms energy: -46.896720
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -4.719
tors. eta vs tors. theta energy: -1.236
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: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -74.904165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.904165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.904165 (E_RNA)
where:
Base-Base interactions energy: -36.296
where: short stacking energy: -26.383
Base-Backbone interact. energy: -1.204
local terms energy: -37.403905
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -8.002
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -86.430112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.430112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.430112 (E_RNA)
where:
Base-Base interactions energy: -39.452
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.117
local terms energy: -46.860604
where:
bonds (distance) C4'-P energy: -7.789
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -7.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -226.767733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.767733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.767733 (E_RNA)
where:
Base-Base interactions energy: -144.345
where: short stacking energy: -77.977
Base-Backbone interact. energy: 0.464
local terms energy: -82.887493
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -22.823
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: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -223.802801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.802801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.802801 (E_RNA)
where:
Base-Base interactions energy: -152.595
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.049
local terms energy: -71.158645
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -212.187188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.187188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.187188 (E_RNA)
where:
Base-Base interactions energy: -137.699
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.121
local terms energy: -74.367621
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.859
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: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -192.378334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.378334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.378334 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -64.495
Base-Backbone interact. energy: -0.044
local terms energy: -71.095377
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -187.862850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.862850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.862850 (E_RNA)
where:
Base-Base interactions energy: -119.372
where: short stacking energy: -55.161
Base-Backbone interact. energy: 1.501
local terms energy: -69.991932
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -10.401
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -183.955004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.955004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.955004 (E_RNA)
where:
Base-Base interactions energy: -115.488
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.104
local terms energy: -68.363227
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -13.152
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: 469
Temperature: 1.200000
Total energy: -97.072819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072819 (E_RNA)
where:
Base-Base interactions energy: -42.126
where: short stacking energy: -36.592
Base-Backbone interact. energy: -0.282
local terms energy: -54.665040
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -9.491
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: 8, replica: 3
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -95.687422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.687422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.687422 (E_RNA)
where:
Base-Base interactions energy: -43.163
where: short stacking energy: -35.201
Base-Backbone interact. energy: -0.048
local terms energy: -52.476673
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -9.771
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -4.665
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: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -94.506970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.506970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.506970 (E_RNA)
where:
Base-Base interactions energy: -32.210
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.272
local terms energy: -62.024245
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -85.806155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.806155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.806155 (E_RNA)
where:
Base-Base interactions energy: -28.821
where: short stacking energy: -28.750
Base-Backbone interact. energy: -1.116
local terms energy: -55.869671
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -230.139771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.139771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.139771 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -76.030
Base-Backbone interact. energy: -0.735
local terms energy: -79.914695
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -209.724063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.724063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.724063 (E_RNA)
where:
Base-Base interactions energy: -128.061
where: short stacking energy: -66.694
Base-Backbone interact. energy: -0.027
local terms energy: -81.635739
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.842
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -205.527664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.527664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.527664 (E_RNA)
where:
Base-Base interactions energy: -133.112
where: short stacking energy: -70.650
Base-Backbone interact. energy: -1.052
local terms energy: -71.363542
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -18.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -185.323963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.323963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.323963 (E_RNA)
where:
Base-Base interactions energy: -115.543
where: short stacking energy: -53.160
Base-Backbone interact. energy: -0.293
local terms energy: -69.488482
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -5.918
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: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -205.490755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.490755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.490755 (E_RNA)
where:
Base-Base interactions energy: -131.415
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.905
local terms energy: -73.171329
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -182.238107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.238107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.238107 (E_RNA)
where:
Base-Base interactions energy: -110.596
where: short stacking energy: -48.367
Base-Backbone interact. energy: -0.011
local terms energy: -71.631697
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -12.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -89.660148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.660148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.660148 (E_RNA)
where:
Base-Base interactions energy: -33.072
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.090
local terms energy: -56.497786
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -6.353
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: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -97.856852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.856852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.856852 (E_RNA)
where:
Base-Base interactions energy: -38.018
where: short stacking energy: -37.695
Base-Backbone interact. energy: -0.353
local terms energy: -59.485288
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -10.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -87.465720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.465720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.465720 (E_RNA)
where:
Base-Base interactions energy: -26.041
where: short stacking energy: -24.100
Base-Backbone interact. energy: 0.172
local terms energy: -61.596903
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -6.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -78.394283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.394283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.394283 (E_RNA)
where:
Base-Base interactions energy: -25.073
where: short stacking energy: -20.133
Base-Backbone interact. energy: 0.123
local terms energy: -53.445002
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -2.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -219.598123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.598123 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -73.376
Base-Backbone interact. energy: -0.009
local terms energy: -77.648579
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -220.282283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.282283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.282283 (E_RNA)
where:
Base-Base interactions energy: -139.244
where: short stacking energy: -74.270
Base-Backbone interact. energy: -0.002
local terms energy: -81.036493
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -20.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -208.372967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.372967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.372967 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -67.651
Base-Backbone interact. energy: -0.041
local terms energy: -77.258778
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -203.540714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.540714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.540714 (E_RNA)
where:
Base-Base interactions energy: -132.005
where: short stacking energy: -64.575
Base-Backbone interact. energy: -0.068
local terms energy: -71.467187
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -179.752596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.752596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.752596 (E_RNA)
where:
Base-Base interactions energy: -112.857
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.210
local terms energy: -66.685252
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -182.947864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947864 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.282
local terms energy: -56.536525
where:
bonds (distance) C4'-P energy: -5.859
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -90.409041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.409041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.409041 (E_RNA)
where:
Base-Base interactions energy: -38.351
where: short stacking energy: -25.341
Base-Backbone interact. energy: 0.770
local terms energy: -52.827890
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -4.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -84.676060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.676060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.676060 (E_RNA)
where:
Base-Base interactions energy: -36.800
where: short stacking energy: -27.558
Base-Backbone interact. energy: 0.506
local terms energy: -48.382189
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -6.592
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: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -92.111540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.111540 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -25.711
Base-Backbone interact. energy: -0.177
local terms energy: -53.828838
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -79.085256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.085256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.085256 (E_RNA)
where:
Base-Base interactions energy: -30.987
where: short stacking energy: -20.907
Base-Backbone interact. energy: -0.168
local terms energy: -47.930990
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -219.068039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.068039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.068039 (E_RNA)
where:
Base-Base interactions energy: -136.016
where: short stacking energy: -72.678
Base-Backbone interact. energy: -0.081
local terms energy: -82.970129
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -219.715991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.715991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.715991 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.016
local terms energy: -75.814789
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -20.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -217.590369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.590369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.590369 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -72.909
Base-Backbone interact. energy: -0.034
local terms energy: -79.833164
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -204.098509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.098509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.098509 (E_RNA)
where:
Base-Base interactions energy: -131.015
where: short stacking energy: -70.195
Base-Backbone interact. energy: -0.592
local terms energy: -72.491938
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -205.478281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.478281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.478281 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -71.803
Base-Backbone interact. energy: -0.056
local terms energy: -71.590889
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -11.199
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: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -195.623636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.623636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.623636 (E_RNA)
where:
Base-Base interactions energy: -126.390
where: short stacking energy: -56.959
Base-Backbone interact. energy: -0.122
local terms energy: -69.111123
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -13.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -83.014836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.014836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.014836 (E_RNA)
where:
Base-Base interactions energy: -29.645
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.100
local terms energy: -53.270137
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -1.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -93.048903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.048903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.048903 (E_RNA)
where:
Base-Base interactions energy: -45.091
where: short stacking energy: -45.091
Base-Backbone interact. energy: -0.601
local terms energy: -47.356906
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -7.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -87.188482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.188482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.188482 (E_RNA)
where:
Base-Base interactions energy: -31.638
where: short stacking energy: -29.422
Base-Backbone interact. energy: -0.099
local terms energy: -55.451438
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -3.261
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: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -72.739355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.739355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.739355 (E_RNA)
where:
Base-Base interactions energy: -29.860
where: short stacking energy: -29.467
Base-Backbone interact. energy: 2.015
local terms energy: -44.894094
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -2.903
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -223.345407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.345407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.345407 (E_RNA)
where:
Base-Base interactions energy: -144.061
where: short stacking energy: -69.987
Base-Backbone interact. energy: -0.071
local terms energy: -79.213151
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -209.318957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.318957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.318957 (E_RNA)
where:
Base-Base interactions energy: -136.597
where: short stacking energy: -65.186
Base-Backbone interact. energy: -0.285
local terms energy: -72.437284
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -203.563610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.563610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.563610 (E_RNA)
where:
Base-Base interactions energy: -135.617
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.273
local terms energy: -67.673878
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -18.717
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: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -199.237538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.237538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.237538 (E_RNA)
where:
Base-Base interactions energy: -125.755
where: short stacking energy: -63.788
Base-Backbone interact. energy: -0.004
local terms energy: -73.479019
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -19.536
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: 5, replica: 7
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -196.625495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.625495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.625495 (E_RNA)
where:
Base-Base interactions energy: -129.935
where: short stacking energy: -62.017
Base-Backbone interact. energy: -1.105
local terms energy: -65.585624
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -10.283
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -175.197103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.197103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.197103 (E_RNA)
where:
Base-Base interactions energy: -113.231
where: short stacking energy: -54.532
Base-Backbone interact. energy: -0.216
local terms energy: -61.750506
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -94.730938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.730938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.730938 (E_RNA)
where:
Base-Base interactions energy: -40.779
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.184
local terms energy: -53.767651
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -84.124898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.124898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.124898 (E_RNA)
where:
Base-Base interactions energy: -26.668
where: short stacking energy: -26.668
Base-Backbone interact. energy: -0.011
local terms energy: -57.445599
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -9.281
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: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -82.745883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.745883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.745883 (E_RNA)
where:
Base-Base interactions energy: -34.178
where: short stacking energy: -20.562
Base-Backbone interact. energy: -0.769
local terms energy: -47.798400
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -4.538
tors. eta vs tors. theta energy: -1.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -71.899601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.899601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.899601 (E_RNA)
where:
Base-Base interactions energy: -25.688
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.098
local terms energy: -46.113301
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -9.754
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -217.736513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.736513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.736513 (E_RNA)
where:
Base-Base interactions energy: -145.192
where: short stacking energy: -73.278
Base-Backbone interact. energy: -0.023
local terms energy: -72.521122
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -19.455
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -215.659693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.659693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.659693 (E_RNA)
where:
Base-Base interactions energy: -133.124
where: short stacking energy: -72.600
Base-Backbone interact. energy: -0.312
local terms energy: -82.223482
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -22.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -219.415275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.415275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.415275 (E_RNA)
where:
Base-Base interactions energy: -142.261
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.019
local terms energy: -77.135524
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -19.055
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: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -196.315605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.315605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.315605 (E_RNA)
where:
Base-Base interactions energy: -131.492
where: short stacking energy: -60.727
Base-Backbone interact. energy: -0.187
local terms energy: -64.635909
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -204.357878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.357878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.357878 (E_RNA)
where:
Base-Base interactions energy: -127.939
where: short stacking energy: -66.128
Base-Backbone interact. energy: -0.695
local terms energy: -75.723688
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -180.721964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.721964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.721964 (E_RNA)
where:
Base-Base interactions energy: -118.407
where: short stacking energy: -51.022
Base-Backbone interact. energy: -0.211
local terms energy: -62.103813
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -109.637018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.637018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.637018 (E_RNA)
where:
Base-Base interactions energy: -61.047
where: short stacking energy: -35.049
Base-Backbone interact. energy: -1.262
local terms energy: -47.328057
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -3.844
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -83.010642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.010642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.010642 (E_RNA)
where:
Base-Base interactions energy: -28.217
where: short stacking energy: -27.168
Base-Backbone interact. energy: -0.090
local terms energy: -54.703954
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -82.726221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.726221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.726221 (E_RNA)
where:
Base-Base interactions energy: -30.028
where: short stacking energy: -28.830
Base-Backbone interact. energy: -0.863
local terms energy: -51.834454
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -75.624515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.624515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.624515 (E_RNA)
where:
Base-Base interactions energy: -23.300
where: short stacking energy: -22.135
Base-Backbone interact. energy: -0.077
local terms energy: -52.247935
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -7.367
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -212.617142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.617142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.617142 (E_RNA)
where:
Base-Base interactions energy: -134.040
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.720
local terms energy: -77.858031
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -20.530
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: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -207.867706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.867706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.867706 (E_RNA)
where:
Base-Base interactions energy: -126.870
where: short stacking energy: -65.589
Base-Backbone interact. energy: -0.015
local terms energy: -80.983390
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.037
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: 475
Temperature: 1.000000
Total energy: -211.323130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.323130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.323130 (E_RNA)
where:
Base-Base interactions energy: -134.774
where: short stacking energy: -73.592
Base-Backbone interact. energy: 0.010
local terms energy: -76.558954
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -199.128709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128709 (E_RNA)
where:
Base-Base interactions energy: -120.876
where: short stacking energy: -63.892
Base-Backbone interact. energy: -0.381
local terms energy: -77.871565
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -195.347387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.347387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.347387 (E_RNA)
where:
Base-Base interactions energy: -128.799
where: short stacking energy: -73.528
Base-Backbone interact. energy: -0.003
local terms energy: -66.545886
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -20.113
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -180.224519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224519 (E_RNA)
where:
Base-Base interactions energy: -118.799
where: short stacking energy: -55.690
Base-Backbone interact. energy: -0.553
local terms energy: -60.872283
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -11.090
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -108.885598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.885598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.885598 (E_RNA)
where:
Base-Base interactions energy: -58.782
where: short stacking energy: -28.527
Base-Backbone interact. energy: -0.153
local terms energy: -49.951349
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -82.548588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.548588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.548588 (E_RNA)
where:
Base-Base interactions energy: -27.524
where: short stacking energy: -18.558
Base-Backbone interact. energy: 1.050
local terms energy: -56.075220
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -1.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -96.616793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.616793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.616793 (E_RNA)
where:
Base-Base interactions energy: -43.025
where: short stacking energy: -24.597
Base-Backbone interact. energy: -0.179
local terms energy: -53.413315
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -3.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -116.547793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.547793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.547793 (E_RNA)
where:
Base-Base interactions energy: -65.635
where: short stacking energy: -33.094
Base-Backbone interact. energy: -0.089
local terms energy: -50.823063
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -5.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -222.111777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.111777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.111777 (E_RNA)
where:
Base-Base interactions energy: -145.975
where: short stacking energy: -72.732
Base-Backbone interact. energy: -1.415
local terms energy: -74.722579
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -19.537
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: 476
Temperature: 0.950000
Total energy: -212.477106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.477106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.477106 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -66.245
Base-Backbone interact. energy: -0.000
local terms energy: -75.484464
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -220.127649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.127649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.127649 (E_RNA)
where:
Base-Base interactions energy: -141.917
where: short stacking energy: -79.799
Base-Backbone interact. energy: -0.328
local terms energy: -77.883164
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -215.331144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.331144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.331144 (E_RNA)
where:
Base-Base interactions energy: -136.730
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.011
local terms energy: -78.589646
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -185.654513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.654513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.654513 (E_RNA)
where:
Base-Base interactions energy: -123.426
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.069
local terms energy: -62.159539
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -18.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -168.377257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.377257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.377257 (E_RNA)
where:
Base-Base interactions energy: -108.579
where: short stacking energy: -44.272
Base-Backbone interact. energy: -0.162
local terms energy: -59.636052
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -80.767618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.767618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.767618 (E_RNA)
where:
Base-Base interactions energy: -30.711
where: short stacking energy: -30.711
Base-Backbone interact. energy: 0.841
local terms energy: -50.897463
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -3.092
tors. eta vs tors. theta energy: -4.598
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: 476
Temperature: 1.250000
Total energy: -88.037745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.037745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.037745 (E_RNA)
where:
Base-Base interactions energy: -30.484
where: short stacking energy: -19.875
Base-Backbone interact. energy: -0.095
local terms energy: -57.458974
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: 1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -77.717940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.717940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.717940 (E_RNA)
where:
Base-Base interactions energy: -25.802
where: short stacking energy: -24.420
Base-Backbone interact. energy: 0.183
local terms energy: -52.099090
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -1.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -77.424310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.424310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.424310 (E_RNA)
where:
Base-Base interactions energy: -21.113
where: short stacking energy: -17.777
Base-Backbone interact. energy: -0.046
local terms energy: -56.265180
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -222.098399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.098399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.098399 (E_RNA)
where:
Base-Base interactions energy: -142.633
where: short stacking energy: -72.159
Base-Backbone interact. energy: -0.158
local terms energy: -79.306715
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -191.481236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.481236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.481236 (E_RNA)
where:
Base-Base interactions energy: -121.949
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.716
local terms energy: -68.816475
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -203.704632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.704632 (E_RNA)
where:
Base-Base interactions energy: -140.472
where: short stacking energy: -68.712
Base-Backbone interact. energy: -0.030
local terms energy: -63.202385
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -2.082
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: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -209.331096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.331096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.331096 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -66.313
Base-Backbone interact. energy: -0.259
local terms energy: -73.336051
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -194.175813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.175813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.175813 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -69.326
Base-Backbone interact. energy: 0.322
local terms energy: -76.324275
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -158.259404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.259404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.259404 (E_RNA)
where:
Base-Base interactions energy: -95.693
where: short stacking energy: -50.238
Base-Backbone interact. energy: -0.005
local terms energy: -62.561015
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -13.057
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -12.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -102.125632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.125632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.125632 (E_RNA)
where:
Base-Base interactions energy: -48.696
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.308
local terms energy: -53.121136
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -9.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -82.530044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.530044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.530044 (E_RNA)
where:
Base-Base interactions energy: -27.428
where: short stacking energy: -27.428
Base-Backbone interact. energy: -0.009
local terms energy: -55.092724
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -90.710065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.710065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.710065 (E_RNA)
where:
Base-Base interactions energy: -42.331
where: short stacking energy: -41.562
Base-Backbone interact. energy: -0.066
local terms energy: -48.312910
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -2.601
tors. eta vs tors. theta energy: -8.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -84.103102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103102 (E_RNA)
where:
Base-Base interactions energy: -37.610
where: short stacking energy: -32.992
Base-Backbone interact. energy: -0.021
local terms energy: -46.471694
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -216.542002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.542002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.542002 (E_RNA)
where:
Base-Base interactions energy: -144.614
where: short stacking energy: -73.703
Base-Backbone interact. energy: -0.015
local terms energy: -71.913402
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -207.255951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.255951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.255951 (E_RNA)
where:
Base-Base interactions energy: -133.088
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.663
local terms energy: -73.505156
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.908
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: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -213.156119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.156119 (E_RNA)
where:
Base-Base interactions energy: -132.896
where: short stacking energy: -62.245
Base-Backbone interact. energy: -0.002
local terms energy: -80.257592
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -16.918
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: 478
Temperature: 1.050000
Total energy: -200.266960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.266960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.266960 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -66.334
Base-Backbone interact. energy: -0.034
local terms energy: -65.775845
where:
bonds (distance) C4'-P energy: -6.398
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -17.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -200.172393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.172393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.172393 (E_RNA)
where:
Base-Base interactions energy: -134.417
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.043
local terms energy: -65.711798
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.030
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: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -139.642602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.642602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.642602 (E_RNA)
where:
Base-Base interactions energy: -85.389
where: short stacking energy: -43.231
Base-Backbone interact. energy: 1.103
local terms energy: -55.357005
where:
bonds (distance) C4'-P energy: -5.272
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -9.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -96.247483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.247483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.247483 (E_RNA)
where:
Base-Base interactions energy: -48.858
where: short stacking energy: -46.849
Base-Backbone interact. energy: 1.222
local terms energy: -48.612248
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -1.216
tors. eta vs tors. theta energy: -7.397
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: 3
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -78.686279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.686279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.686279 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -27.288
Base-Backbone interact. energy: -0.043
local terms energy: -48.383035
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -4.938
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -89.050665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050665 (E_RNA)
where:
Base-Base interactions energy: -30.174
where: short stacking energy: -29.826
Base-Backbone interact. energy: -0.117
local terms energy: -58.760188
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -80.439185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.439185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.439185 (E_RNA)
where:
Base-Base interactions energy: -24.539
where: short stacking energy: -22.661
Base-Backbone interact. energy: -0.107
local terms energy: -55.793227
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -5.952
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)
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==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -219.006309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.006309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.006309 (E_RNA)
where:
Base-Base interactions energy: -145.389
where: short stacking energy: -70.154
Base-Backbone interact. energy: -0.049
local terms energy: -73.567863
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -20.355
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: 479
Temperature: 0.950000
Total energy: -221.392300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.392300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.392300 (E_RNA)
where:
Base-Base interactions energy: -142.322
where: short stacking energy: -71.463
Base-Backbone interact. energy: -0.768
local terms energy: -78.301970
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -203.904718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.904718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.904718 (E_RNA)
where:
Base-Base interactions energy: -133.188
where: short stacking energy: -62.076
Base-Backbone interact. energy: -0.438
local terms energy: -70.278598
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -202.999648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999648 (E_RNA)
where:
Base-Base interactions energy: -118.018
where: short stacking energy: -66.861
Base-Backbone interact. energy: -0.024
local terms energy: -84.958008
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -160.098095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.098095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.098095 (E_RNA)
where:
Base-Base interactions energy: -98.178
where: short stacking energy: -33.867
Base-Backbone interact. energy: -0.038
local terms energy: -61.882391
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -160.062441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.062441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.062441 (E_RNA)
where:
Base-Base interactions energy: -93.362
where: short stacking energy: -48.543
Base-Backbone interact. energy: -0.042
local terms energy: -66.658628
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -11.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -91.048720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.048720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.048720 (E_RNA)
where:
Base-Base interactions energy: -46.545
where: short stacking energy: -23.949
Base-Backbone interact. energy: 0.290
local terms energy: -44.793923
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -7.187
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: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -98.828773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.828773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.828773 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -30.626
Base-Backbone interact. energy: -0.112
local terms energy: -56.956262
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -90.003343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.003343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.003343 (E_RNA)
where:
Base-Base interactions energy: -45.292
where: short stacking energy: -32.417
Base-Backbone interact. energy: -0.644
local terms energy: -44.067996
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -0.939
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: 479
Temperature: 1.350000
Total energy: -86.803374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803374 (E_RNA)
where:
Base-Base interactions energy: -34.185
where: short stacking energy: -34.185
Base-Backbone interact. energy: 0.373
local terms energy: -52.991109
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -221.292354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.292354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.292354 (E_RNA)
where:
Base-Base interactions energy: -137.609
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.294
local terms energy: -83.388787
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -23.561
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: 480
Temperature: 0.950000
Total energy: -220.813264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.813264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.813264 (E_RNA)
where:
Base-Base interactions energy: -140.928
where: short stacking energy: -67.245
Base-Backbone interact. energy: 0.178
local terms energy: -80.062513
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -24.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -214.513367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.513367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.513367 (E_RNA)
where:
Base-Base interactions energy: -144.816
where: short stacking energy: -63.476
Base-Backbone interact. energy: 0.025
local terms energy: -69.722583
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -207.289969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.289969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.289969 (E_RNA)
where:
Base-Base interactions energy: -132.600
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.117
local terms energy: -74.572747
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.980
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: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -173.249614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.249614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.249614 (E_RNA)
where:
Base-Base interactions energy: -113.501
where: short stacking energy: -61.858
Base-Backbone interact. energy: -0.498
local terms energy: -59.250948
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -157.122803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.122803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.122803 (E_RNA)
where:
Base-Base interactions energy: -86.800
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.300
local terms energy: -70.023061
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -10.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -94.130314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.130314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.130314 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -45.223
Base-Backbone interact. energy: -0.148
local terms energy: -48.759648
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -89.657497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.657497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.657497 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -41.597
Base-Backbone interact. energy: -0.020
local terms energy: -48.839950
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -4.876
tors. eta vs tors. theta energy: -8.299
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: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.806065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.806065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.806065 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.133
local terms energy: -56.009867
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -14.580
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -11.185
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: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -73.693238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.693238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.693238 (E_RNA)
where:
Base-Base interactions energy: -30.961
where: short stacking energy: -22.963
Base-Backbone interact. energy: -0.207
local terms energy: -42.524497
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: 2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -220.854694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.854694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.854694 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -72.040
Base-Backbone interact. energy: -0.066
local terms energy: -79.686168
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -21.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -220.805843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.805843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.805843 (E_RNA)
where:
Base-Base interactions energy: -147.334
where: short stacking energy: -59.264
Base-Backbone interact. energy: -0.251
local terms energy: -73.220525
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -210.341820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.341820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.341820 (E_RNA)
where:
Base-Base interactions energy: -135.564
where: short stacking energy: -69.067
Base-Backbone interact. energy: -0.007
local terms energy: -74.770993
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.700
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: 4, replica: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -186.731611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.731611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.731611 (E_RNA)
where:
Base-Base interactions energy: -120.551
where: short stacking energy: -51.975
Base-Backbone interact. energy: -0.384
local terms energy: -65.796524
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -182.225656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.225656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.225656 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -43.467
Base-Backbone interact. energy: -0.093
local terms energy: -63.507705
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -5.266
tors. eta vs tors. theta energy: -10.234
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: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -140.727887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.727887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.727887 (E_RNA)
where:
Base-Base interactions energy: -80.020
where: short stacking energy: -49.720
Base-Backbone interact. energy: 1.357
local terms energy: -62.064602
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -9.374
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: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -106.053195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.053195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.053195 (E_RNA)
where:
Base-Base interactions energy: -46.908
where: short stacking energy: -42.508
Base-Backbone interact. energy: -0.241
local terms energy: -58.904083
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -9.701
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: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -99.913672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913672 (E_RNA)
where:
Base-Base interactions energy: -47.686
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.056
local terms energy: -52.171451
where:
bonds (distance) C4'-P energy: -17.062
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -6.836
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -87.339992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.339992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.339992 (E_RNA)
where:
Base-Base interactions energy: -38.569
where: short stacking energy: -22.815
Base-Backbone interact. energy: -0.194
local terms energy: -48.577697
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -3.041
tors. eta vs tors. theta energy: -0.656
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -69.657781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.657781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.657781 (E_RNA)
where:
Base-Base interactions energy: -27.373
where: short stacking energy: -27.373
Base-Backbone interact. energy: -0.179
local terms energy: -42.105501
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: 3.957
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -213.324414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.324414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.324414 (E_RNA)
where:
Base-Base interactions energy: -141.252
where: short stacking energy: -59.405
Base-Backbone interact. energy: -0.915
local terms energy: -71.157056
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -207.953401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.953401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.953401 (E_RNA)
where:
Base-Base interactions energy: -135.038
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.044
local terms energy: -72.871720
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -11.007
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -215.155347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.155347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.155347 (E_RNA)
where:
Base-Base interactions energy: -137.643
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.624
local terms energy: -76.888535
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -20.045
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: 4
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -202.448864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.448864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.448864 (E_RNA)
where:
Base-Base interactions energy: -132.499
where: short stacking energy: -63.200
Base-Backbone interact. energy: -0.158
local terms energy: -69.791794
where:
bonds (distance) C4'-P energy: -6.772
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -18.932
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: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -192.843465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.843465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.843465 (E_RNA)
where:
Base-Base interactions energy: -128.575
where: short stacking energy: -53.293
Base-Backbone interact. energy: -1.463
local terms energy: -62.804819
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -143.801449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.801449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.801449 (E_RNA)
where:
Base-Base interactions energy: -88.763
where: short stacking energy: -54.808
Base-Backbone interact. energy: -0.048
local terms energy: -54.990280
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -8.966
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -11.265
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: 482
Temperature: 1.200000
Total energy: -95.786868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.786868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.786868 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.094
local terms energy: -57.428529
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -9.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -81.329148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.329148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.329148 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.034
local terms energy: -44.227532
where:
bonds (distance) C4'-P energy: -8.166
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -81.850168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.850168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.850168 (E_RNA)
where:
Base-Base interactions energy: -25.586
where: short stacking energy: -25.586
Base-Backbone interact. energy: -0.346
local terms energy: -55.917486
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -74.336988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.336988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.336988 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -25.203
Base-Backbone interact. energy: -0.223
local terms energy: -49.078068
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.146
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -206.301639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.301639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.301639 (E_RNA)
where:
Base-Base interactions energy: -131.554
where: short stacking energy: -58.612
Base-Backbone interact. energy: 0.416
local terms energy: -75.164121
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -219.067276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.067276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.067276 (E_RNA)
where:
Base-Base interactions energy: -137.790
where: short stacking energy: -72.228
Base-Backbone interact. energy: -0.018
local terms energy: -81.259960
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.250
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: 3, replica: 9
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -195.495065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.495065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.495065 (E_RNA)
where:
Base-Base interactions energy: -124.696
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.230
local terms energy: -70.569442
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -20.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -192.213826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.213826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.213826 (E_RNA)
where:
Base-Base interactions energy: -118.728
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.271
local terms energy: -73.214411
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -202.950785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.950785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.950785 (E_RNA)
where:
Base-Base interactions energy: -138.469
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.219
local terms energy: -64.262996
where:
bonds (distance) C4'-P energy: -1.976
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -138.492756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.492756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.492756 (E_RNA)
where:
Base-Base interactions energy: -81.696
where: short stacking energy: -40.259
Base-Backbone interact. energy: -0.074
local terms energy: -56.722999
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -92.470687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.470687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.470687 (E_RNA)
where:
Base-Base interactions energy: -44.706
where: short stacking energy: -36.875
Base-Backbone interact. energy: -0.200
local terms energy: -47.564469
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -6.361
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: 5
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -98.951515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.951515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.951515 (E_RNA)
where:
Base-Base interactions energy: -47.223
where: short stacking energy: -40.639
Base-Backbone interact. energy: -0.084
local terms energy: -51.644581
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -3.008
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -80.606254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.606254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.606254 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -26.400
Base-Backbone interact. energy: -0.150
local terms energy: -43.758793
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -86.347897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.347897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.347897 (E_RNA)
where:
Base-Base interactions energy: -31.465
where: short stacking energy: -21.272
Base-Backbone interact. energy: -0.022
local terms energy: -54.860975
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.631
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -3.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -221.478764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478764 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -70.301
Base-Backbone interact. energy: -0.440
local terms energy: -81.927567
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -214.126757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.126757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.126757 (E_RNA)
where:
Base-Base interactions energy: -138.952
where: short stacking energy: -63.953
Base-Backbone interact. energy: -0.173
local terms energy: -75.001955
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -11.215
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: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -194.169701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.169701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.169701 (E_RNA)
where:
Base-Base interactions energy: -129.714
where: short stacking energy: -64.294
Base-Backbone interact. energy: -0.894
local terms energy: -63.561901
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -14.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -190.739442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.739442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.739442 (E_RNA)
where:
Base-Base interactions energy: -126.792
where: short stacking energy: -59.964
Base-Backbone interact. energy: -0.648
local terms energy: -63.299360
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -195.468642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.468642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.468642 (E_RNA)
where:
Base-Base interactions energy: -130.637
where: short stacking energy: -53.883
Base-Backbone interact. energy: -0.143
local terms energy: -64.688114
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -151.685621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.685621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.685621 (E_RNA)
where:
Base-Base interactions energy: -90.562
where: short stacking energy: -46.655
Base-Backbone interact. energy: -0.430
local terms energy: -60.693695
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -12.529
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: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -93.372442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.372442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.372442 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.096
local terms energy: -62.234651
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -77.001278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.001278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.001278 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -27.339
Base-Backbone interact. energy: -0.162
local terms energy: -48.996550
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -0.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -78.908356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.908356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.908356 (E_RNA)
where:
Base-Base interactions energy: -25.469
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.311
local terms energy: -53.127742
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -6.693
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: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -77.916639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.916639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.916639 (E_RNA)
where:
Base-Base interactions energy: -29.340
where: short stacking energy: -29.261
Base-Backbone interact. energy: -0.063
local terms energy: -48.513723
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.040
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -224.584963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.584963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.584963 (E_RNA)
where:
Base-Base interactions energy: -142.247
where: short stacking energy: -77.149
Base-Backbone interact. energy: -0.003
local terms energy: -82.334394
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -22.931
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: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -210.894587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.894587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.894587 (E_RNA)
where:
Base-Base interactions energy: -136.356
where: short stacking energy: -64.435
Base-Backbone interact. energy: 1.506
local terms energy: -76.044743
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -183.441959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441959 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -50.170
Base-Backbone interact. energy: -1.821
local terms energy: -64.652877
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -213.735668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.735668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.735668 (E_RNA)
where:
Base-Base interactions energy: -140.854
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.007
local terms energy: -72.875225
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -197.125871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.125871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.125871 (E_RNA)
where:
Base-Base interactions energy: -123.475
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.098
local terms energy: -73.553169
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -13.528
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -19.546
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: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -143.904125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.904125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.904125 (E_RNA)
where:
Base-Base interactions energy: -77.618
where: short stacking energy: -49.689
Base-Backbone interact. energy: -1.410
local terms energy: -64.876616
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -14.017
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: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -100.285086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.285086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.285086 (E_RNA)
where:
Base-Base interactions energy: -35.930
where: short stacking energy: -33.135
Base-Backbone interact. energy: -0.328
local terms energy: -64.027021
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -103.425360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.425360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.425360 (E_RNA)
where:
Base-Base interactions energy: -48.454
where: short stacking energy: -18.200
Base-Backbone interact. energy: 1.413
local terms energy: -56.384918
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -85.899667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899667 (E_RNA)
where:
Base-Base interactions energy: -41.703
where: short stacking energy: -34.580
Base-Backbone interact. energy: -0.160
local terms energy: -44.036589
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -3.218
tors. eta vs tors. theta energy: -1.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -75.246507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.246507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.246507 (E_RNA)
where:
Base-Base interactions energy: -32.482
where: short stacking energy: -24.595
Base-Backbone interact. energy: -0.189
local terms energy: -42.575974
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: 1.221
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -218.396740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.396740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.396740 (E_RNA)
where:
Base-Base interactions energy: -137.005
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.180
local terms energy: -81.211760
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -218.060258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.060258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.060258 (E_RNA)
where:
Base-Base interactions energy: -144.997
where: short stacking energy: -78.980
Base-Backbone interact. energy: -0.083
local terms energy: -72.980105
where:
bonds (distance) C4'-P energy: -11.782
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -17.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -212.015773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.015773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.015773 (E_RNA)
where:
Base-Base interactions energy: -138.791
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.618
local terms energy: -72.606630
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -15.514
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: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -185.894565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.894565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.894565 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -57.379
Base-Backbone interact. energy: -0.139
local terms energy: -55.799757
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -9.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -186.240815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.240815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.240815 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -54.248
Base-Backbone interact. energy: -0.314
local terms energy: -67.130255
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -134.231432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.231432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.231432 (E_RNA)
where:
Base-Base interactions energy: -76.123
where: short stacking energy: -39.010
Base-Backbone interact. energy: 0.810
local terms energy: -58.918909
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -89.655042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.655042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.655042 (E_RNA)
where:
Base-Base interactions energy: -41.053
where: short stacking energy: -30.958
Base-Backbone interact. energy: -0.155
local terms energy: -48.446696
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -3.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -90.475358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.475358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.475358 (E_RNA)
where:
Base-Base interactions energy: -43.639
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.113
local terms energy: -46.723636
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -75.736330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.736330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.736330 (E_RNA)
where:
Base-Base interactions energy: -26.947
where: short stacking energy: -26.947
Base-Backbone interact. energy: -0.905
local terms energy: -47.884765
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -78.427780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.427780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.427780 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -28.664
Base-Backbone interact. energy: -0.147
local terms energy: -47.822355
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -8.120
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -1.051
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)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -216.085289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.085289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.085289 (E_RNA)
where:
Base-Base interactions energy: -139.606
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.463
local terms energy: -76.016599
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -212.761378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.761378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.761378 (E_RNA)
where:
Base-Base interactions energy: -133.325
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.506
local terms energy: -78.930423
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -199.883428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.883428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.883428 (E_RNA)
where:
Base-Base interactions energy: -131.587
where: short stacking energy: -59.975
Base-Backbone interact. energy: 2.350
local terms energy: -70.647310
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -200.579352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.579352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.579352 (E_RNA)
where:
Base-Base interactions energy: -132.190
where: short stacking energy: -70.564
Base-Backbone interact. energy: -0.093
local terms energy: -68.296394
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -175.009092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.009092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.009092 (E_RNA)
where:
Base-Base interactions energy: -111.939
where: short stacking energy: -50.666
Base-Backbone interact. energy: -0.144
local terms energy: -62.926042
where:
bonds (distance) C4'-P energy: -8.571
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -105.037462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037462 (E_RNA)
where:
Base-Base interactions energy: -45.251
where: short stacking energy: -36.495
Base-Backbone interact. energy: -0.199
local terms energy: -59.586798
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -8.888
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: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -139.331799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.331799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.331799 (E_RNA)
where:
Base-Base interactions energy: -71.343
where: short stacking energy: -43.483
Base-Backbone interact. energy: 0.286
local terms energy: -68.274115
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -11.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -133.709119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.709119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.709119 (E_RNA)
where:
Base-Base interactions energy: -75.060
where: short stacking energy: -36.840
Base-Backbone interact. energy: -0.342
local terms energy: -58.306948
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -4.094
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: 487
Temperature: 1.300000
Total energy: -87.241471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.241471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.241471 (E_RNA)
where:
Base-Base interactions energy: -38.180
where: short stacking energy: -22.539
Base-Backbone interact. energy: -1.146
local terms energy: -47.915379
where:
bonds (distance) C4'-P energy: -7.615
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -15.705
flat angles P-C4'-P energy: -4.520
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: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -78.654388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.654388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.654388 (E_RNA)
where:
Base-Base interactions energy: -26.655
where: short stacking energy: -24.636
Base-Backbone interact. energy: -0.185
local terms energy: -51.814055
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -5.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -215.189389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.189389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.189389 (E_RNA)
where:
Base-Base interactions energy: -137.343
where: short stacking energy: -70.150
Base-Backbone interact. energy: -0.340
local terms energy: -77.505838
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -19.842
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: 2
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -221.360508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.360508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.360508 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.055
local terms energy: -83.512003
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -24.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -217.106004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.106004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.106004 (E_RNA)
where:
Base-Base interactions energy: -138.882
where: short stacking energy: -66.795
Base-Backbone interact. energy: -0.061
local terms energy: -78.162284
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -19.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -192.302559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.302559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.302559 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -50.938
Base-Backbone interact. energy: -0.387
local terms energy: -57.335807
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -11.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -176.755169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.755169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.755169 (E_RNA)
where:
Base-Base interactions energy: -112.776
where: short stacking energy: -56.999
Base-Backbone interact. energy: -0.066
local terms energy: -63.913260
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -104.347935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.347935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.347935 (E_RNA)
where:
Base-Base interactions energy: -43.698
where: short stacking energy: -43.698
Base-Backbone interact. energy: -0.135
local terms energy: -60.514295
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -7.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -105.694917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.694917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.694917 (E_RNA)
where:
Base-Base interactions energy: -56.605
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.347
local terms energy: -48.743358
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -3.299
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: 3
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -91.714314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.714314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.714314 (E_RNA)
where:
Base-Base interactions energy: -31.660
where: short stacking energy: -26.208
Base-Backbone interact. energy: -0.462
local terms energy: -59.591832
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -85.408385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408385 (E_RNA)
where:
Base-Base interactions energy: -30.444
where: short stacking energy: -26.406
Base-Backbone interact. energy: -0.247
local terms energy: -54.718157
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -12.404
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -74.467174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.467174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.467174 (E_RNA)
where:
Base-Base interactions energy: -24.625
where: short stacking energy: -19.357
Base-Backbone interact. energy: -0.065
local terms energy: -49.776783
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: 0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -223.041502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.041502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.041502 (E_RNA)
where:
Base-Base interactions energy: -146.905
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.028
local terms energy: -76.108579
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -19.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -221.513445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.513445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.513445 (E_RNA)
where:
Base-Base interactions energy: -145.196
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.048
local terms energy: -76.269673
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -22.779
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: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -213.060744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.060744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.060744 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -63.656
Base-Backbone interact. energy: -0.525
local terms energy: -70.668100
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -20.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -192.552157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.552157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.552157 (E_RNA)
where:
Base-Base interactions energy: -122.637
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.203
local terms energy: -69.712764
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -179.909243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.909243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.909243 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -51.711
Base-Backbone interact. energy: -0.759
local terms energy: -66.258475
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -11.526
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: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -92.984441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.984441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.984441 (E_RNA)
where:
Base-Base interactions energy: -32.883
where: short stacking energy: -32.883
Base-Backbone interact. energy: -0.508
local terms energy: -59.593366
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -84.550342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.550342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.550342 (E_RNA)
where:
Base-Base interactions energy: -36.163
where: short stacking energy: -28.144
Base-Backbone interact. energy: -0.100
local terms energy: -48.286939
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -86.349981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.349981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.349981 (E_RNA)
where:
Base-Base interactions energy: -44.392
where: short stacking energy: -27.586
Base-Backbone interact. energy: -0.180
local terms energy: -41.778285
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -0.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -78.756726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.756726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.756726 (E_RNA)
where:
Base-Base interactions energy: -26.900
where: short stacking energy: -25.994
Base-Backbone interact. energy: -0.241
local terms energy: -51.615075
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: 2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -91.495631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495631 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.013
local terms energy: -46.385594
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -7.989
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -225.204927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.204927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.204927 (E_RNA)
where:
Base-Base interactions energy: -139.952
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.426
local terms energy: -84.826988
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -213.089143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.089143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.089143 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -66.228
Base-Backbone interact. energy: -0.739
local terms energy: -82.783350
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -194.710171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.710171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.710171 (E_RNA)
where:
Base-Base interactions energy: -126.682
where: short stacking energy: -57.152
Base-Backbone interact. energy: -1.117
local terms energy: -66.911449
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -193.347621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.347621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.347621 (E_RNA)
where:
Base-Base interactions energy: -123.781
where: short stacking energy: -54.344
Base-Backbone interact. energy: -0.165
local terms energy: -69.401725
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -8.057
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -199.530884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.530884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.530884 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -66.550
Base-Backbone interact. energy: -0.010
local terms energy: -74.197398
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -20.732
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: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -97.016831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.016831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.016831 (E_RNA)
where:
Base-Base interactions energy: -35.643
where: short stacking energy: -32.237
Base-Backbone interact. energy: -0.336
local terms energy: -61.037380
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -15.114
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -6.862
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: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -102.094482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.094482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.094482 (E_RNA)
where:
Base-Base interactions energy: -44.441
where: short stacking energy: -41.910
Base-Backbone interact. energy: -0.089
local terms energy: -57.564608
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -8.597
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -85.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.328228 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.137
local terms energy: -48.856568
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -8.894
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -79.454581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.454581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.454581 (E_RNA)
where:
Base-Base interactions energy: -44.635
where: short stacking energy: -26.526
Base-Backbone interact. energy: -0.109
local terms energy: -34.710303
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -8.098
flat angles P-C4'-P energy: -4.403
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: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -71.172934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.172934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.172934 (E_RNA)
where:
Base-Base interactions energy: -29.702
where: short stacking energy: -16.242
Base-Backbone interact. energy: -0.224
local terms energy: -41.247394
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: 3.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -222.550736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.550736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.550736 (E_RNA)
where:
Base-Base interactions energy: -136.735
where: short stacking energy: -73.006
Base-Backbone interact. energy: -0.010
local terms energy: -85.806318
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -210.451064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.451064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.451064 (E_RNA)
where:
Base-Base interactions energy: -133.683
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.013
local terms energy: -76.755473
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -189.713035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.713035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.713035 (E_RNA)
where:
Base-Base interactions energy: -122.391
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.427
local terms energy: -66.895118
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -14.303
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: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -205.250521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.250521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.250521 (E_RNA)
where:
Base-Base interactions energy: -141.042
where: short stacking energy: -69.199
Base-Backbone interact. energy: -0.042
local terms energy: -64.166868
where:
bonds (distance) C4'-P energy: -7.864
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -20.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -185.661403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.661403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.661403 (E_RNA)
where:
Base-Base interactions energy: -108.902
where: short stacking energy: -54.625
Base-Backbone interact. energy: -0.453
local terms energy: -76.306123
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -17.461
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -20.232
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: 8
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -108.090782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.090782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.090782 (E_RNA)
where:
Base-Base interactions energy: -48.665
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.014
local terms energy: -59.411113
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -98.470508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.470508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.470508 (E_RNA)
where:
Base-Base interactions energy: -39.118
where: short stacking energy: -30.972
Base-Backbone interact. energy: -1.108
local terms energy: -58.244733
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -89.415711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415711 (E_RNA)
where:
Base-Base interactions energy: -27.556
where: short stacking energy: -24.457
Base-Backbone interact. energy: 1.831
local terms energy: -63.690962
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -82.885125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.885125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.885125 (E_RNA)
where:
Base-Base interactions energy: -41.071
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.115
local terms energy: -41.699294
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -4.960
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -82.886175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.886175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.886175 (E_RNA)
where:
Base-Base interactions energy: -30.253
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.044
local terms energy: -52.589574
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -221.932559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.932559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.932559 (E_RNA)
where:
Base-Base interactions energy: -143.103
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.002
local terms energy: -78.827148
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -19.448
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -217.976476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.976476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.976476 (E_RNA)
where:
Base-Base interactions energy: -145.701
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.061
local terms energy: -72.214734
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -14.386
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: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -224.401654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.401654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.401654 (E_RNA)
where:
Base-Base interactions energy: -148.939
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.061
local terms energy: -75.401706
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -205.732724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.732724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.732724 (E_RNA)
where:
Base-Base interactions energy: -131.392
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.051
local terms energy: -74.289966
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -187.751600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.751600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.751600 (E_RNA)
where:
Base-Base interactions energy: -120.851
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.219
local terms energy: -66.682050
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -15.060
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: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -82.177347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.177347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.177347 (E_RNA)
where:
Base-Base interactions energy: -32.438
where: short stacking energy: -30.852
Base-Backbone interact. energy: 0.365
local terms energy: -50.103935
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -5.552
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -85.145636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.145636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.145636 (E_RNA)
where:
Base-Base interactions energy: -37.356
where: short stacking energy: -29.621
Base-Backbone interact. energy: -0.097
local terms energy: -47.692207
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -9.672
flat angles P-C4'-P energy: -6.192
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: 8, replica: 3
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -111.910526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.910526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.910526 (E_RNA)
where:
Base-Base interactions energy: -63.600
where: short stacking energy: -32.827
Base-Backbone interact. energy: -0.254
local terms energy: -48.057144
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -81.143168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.143168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.143168 (E_RNA)
where:
Base-Base interactions energy: -26.947
where: short stacking energy: -26.947
Base-Backbone interact. energy: 0.714
local terms energy: -54.909403
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -0.739
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: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -77.615445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.615445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.615445 (E_RNA)
where:
Base-Base interactions energy: -39.233
where: short stacking energy: -19.327
Base-Backbone interact. energy: -0.286
local terms energy: -38.096714
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -2.817
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
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==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -227.292110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.292110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.292110 (E_RNA)
where:
Base-Base interactions energy: -149.774
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.025
local terms energy: -77.493414
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -10.464
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: 2, replica: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -211.239645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.239645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.239645 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -67.758
Base-Backbone interact. energy: 1.139
local terms energy: -74.009147
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -16.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -213.963561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.963561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.963561 (E_RNA)
where:
Base-Base interactions energy: -135.981
where: short stacking energy: -72.974
Base-Backbone interact. energy: 0.761
local terms energy: -78.743663
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -181.417706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.417706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.417706 (E_RNA)
where:
Base-Base interactions energy: -120.601
where: short stacking energy: -50.291
Base-Backbone interact. energy: -0.197
local terms energy: -60.620331
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -198.194489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.194489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.194489 (E_RNA)
where:
Base-Base interactions energy: -126.620
where: short stacking energy: -59.263
Base-Backbone interact. energy: -0.631
local terms energy: -70.942766
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.558
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -108.427118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.427118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.427118 (E_RNA)
where:
Base-Base interactions energy: -51.002
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.009
local terms energy: -57.415589
where:
bonds (distance) C4'-P energy: -9.739
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -88.089105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.089105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.089105 (E_RNA)
where:
Base-Base interactions energy: -27.472
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.102
local terms energy: -60.515558
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -8.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -104.809709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.809709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.809709 (E_RNA)
where:
Base-Base interactions energy: -56.195
where: short stacking energy: -32.852
Base-Backbone interact. energy: 0.217
local terms energy: -48.831248
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -82.438545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.438545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.438545 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -31.059
Base-Backbone interact. energy: 1.267
local terms energy: -52.647052
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -74.519927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.519927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.519927 (E_RNA)
where:
Base-Base interactions energy: -29.217
where: short stacking energy: -23.945
Base-Backbone interact. energy: 0.794
local terms energy: -46.097756
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -0.317
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -226.393291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.393291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.393291 (E_RNA)
where:
Base-Base interactions energy: -141.580
where: short stacking energy: -75.489
Base-Backbone interact. energy: -0.013
local terms energy: -84.799618
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -21.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -219.683372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.683372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.683372 (E_RNA)
where:
Base-Base interactions energy: -138.351
where: short stacking energy: -72.078
Base-Backbone interact. energy: -0.002
local terms energy: -81.330508
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -22.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -204.719870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.719870 (E_RNA)
where:
Base-Base interactions energy: -126.302
where: short stacking energy: -63.275
Base-Backbone interact. energy: -0.423
local terms energy: -77.995369
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -16.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -208.020166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.020166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.020166 (E_RNA)
where:
Base-Base interactions energy: -140.979
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.267
local terms energy: -66.773915
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -20.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -199.212227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.212227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.212227 (E_RNA)
where:
Base-Base interactions energy: -122.614
where: short stacking energy: -68.956
Base-Backbone interact. energy: -0.698
local terms energy: -75.899931
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -22.183
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: 6
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -106.934643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.934643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.934643 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -34.992
Base-Backbone interact. energy: -0.034
local terms energy: -65.551149
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -9.795
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: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -92.446606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.446606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.446606 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -30.518
Base-Backbone interact. energy: -0.131
local terms energy: -57.477590
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -87.348499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.348499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.348499 (E_RNA)
where:
Base-Base interactions energy: -32.803
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.098
local terms energy: -54.447558
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -8.619
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -75.987321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.987321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.987321 (E_RNA)
where:
Base-Base interactions energy: -24.898
where: short stacking energy: -24.898
Base-Backbone interact. energy: -0.046
local terms energy: -51.043928
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -78.801214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801214 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -16.146
Base-Backbone interact. energy: -0.133
local terms energy: -54.189550
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -0.400
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)
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==================================
temp. level: 1, replica: 1
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -221.422598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.422598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.422598 (E_RNA)
where:
Base-Base interactions energy: -144.932
where: short stacking energy: -65.687
Base-Backbone interact. energy: -0.300
local terms energy: -76.189852
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -204.731631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.731631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.731631 (E_RNA)
where:
Base-Base interactions energy: -135.798
where: short stacking energy: -71.305
Base-Backbone interact. energy: -0.003
local terms energy: -68.930492
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -6.215
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: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -216.913015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.913015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.913015 (E_RNA)
where:
Base-Base interactions energy: -141.344
where: short stacking energy: -78.072
Base-Backbone interact. energy: -0.582
local terms energy: -74.986662
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -21.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -211.811052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.811052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.811052 (E_RNA)
where:
Base-Base interactions energy: -145.374
where: short stacking energy: -75.284
Base-Backbone interact. energy: 0.530
local terms energy: -66.966522
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -7.308
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -199.622237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.622237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.622237 (E_RNA)
where:
Base-Base interactions energy: -135.327
where: short stacking energy: -61.815
Base-Backbone interact. energy: 0.309
local terms energy: -64.604878
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.995
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: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -120.805794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.805794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.805794 (E_RNA)
where:
Base-Base interactions energy: -62.299
where: short stacking energy: -28.656
Base-Backbone interact. energy: -0.616
local terms energy: -57.889960
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -7.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -93.387081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.387081 (E_RNA)
where:
Base-Base interactions energy: -39.294
where: short stacking energy: -34.753
Base-Backbone interact. energy: -0.188
local terms energy: -53.905543
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -2.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -97.468751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.468751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.468751 (E_RNA)
where:
Base-Base interactions energy: -52.329
where: short stacking energy: -22.765
Base-Backbone interact. energy: -0.054
local terms energy: -45.086054
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -80.033444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.033444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.033444 (E_RNA)
where:
Base-Base interactions energy: -27.843
where: short stacking energy: -27.843
Base-Backbone interact. energy: -0.272
local terms energy: -51.918631
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -3.018
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: 495
Temperature: 1.350000
Total energy: -87.919148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.919148 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -27.717
Base-Backbone interact. energy: -0.624
local terms energy: -53.062174
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.541
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -6.549
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)
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==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -221.397965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.397965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.397965 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -64.585
Base-Backbone interact. energy: 0.365
local terms energy: -78.273578
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -205.971464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.971464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.971464 (E_RNA)
where:
Base-Base interactions energy: -129.148
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.874
local terms energy: -75.949223
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -19.528
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: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -214.456074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.456074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.456074 (E_RNA)
where:
Base-Base interactions energy: -134.790
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.142
local terms energy: -79.524455
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -202.822282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.822282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.822282 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -66.883
Base-Backbone interact. energy: -0.005
local terms energy: -71.128622
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -190.089004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.089004 (E_RNA)
where:
Base-Base interactions energy: -127.045
where: short stacking energy: -50.933
Base-Backbone interact. energy: -0.185
local terms energy: -62.859540
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -106.297589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.297589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.297589 (E_RNA)
where:
Base-Base interactions energy: -46.289
where: short stacking energy: -35.431
Base-Backbone interact. energy: 0.222
local terms energy: -60.229954
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -11.274
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: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -92.883424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.883424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.883424 (E_RNA)
where:
Base-Base interactions energy: -33.365
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.035
local terms energy: -59.483569
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -6.479
tors. eta vs tors. theta energy: -5.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -84.090223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.090223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.090223 (E_RNA)
where:
Base-Base interactions energy: -35.973
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.103
local terms energy: -48.014858
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -2.341
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -75.858993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.858993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.858993 (E_RNA)
where:
Base-Base interactions energy: -24.474
where: short stacking energy: -21.306
Base-Backbone interact. energy: -0.016
local terms energy: -51.368440
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -81.830894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.830894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.830894 (E_RNA)
where:
Base-Base interactions energy: -34.327
where: short stacking energy: -32.058
Base-Backbone interact. energy: 0.266
local terms energy: -47.769511
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -2.941
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)
��������
��������
��������
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
��������DONE
DONE
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DONE
��������DONE
DONE
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DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -216.996213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.996213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.996213 (E_RNA)
where:
Base-Base interactions energy: -136.069
where: short stacking energy: -71.288
Base-Backbone interact. energy: -0.006
local terms energy: -80.920435
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -21.626
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: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -211.490333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.490333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.490333 (E_RNA)
where:
Base-Base interactions energy: -137.124
where: short stacking energy: -67.978
Base-Backbone interact. energy: -0.001
local terms energy: -74.364975
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -200.093589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.093589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.093589 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -64.690
Base-Backbone interact. energy: -0.327
local terms energy: -68.047824
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -198.481455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.481455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.481455 (E_RNA)
where:
Base-Base interactions energy: -132.193
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.488
local terms energy: -65.801015
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -3.679
tors. eta vs tors. theta energy: -18.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -192.849536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.849536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849536 (E_RNA)
where:
Base-Base interactions energy: -120.840
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.001
local terms energy: -72.008879
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -17.198
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: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -93.334969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.334969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.334969 (E_RNA)
where:
Base-Base interactions energy: -38.664
where: short stacking energy: -34.311
Base-Backbone interact. energy: -0.149
local terms energy: -54.522137
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -109.672662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.672662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.672662 (E_RNA)
where:
Base-Base interactions energy: -48.003
where: short stacking energy: -40.844
Base-Backbone interact. energy: -0.225
local terms energy: -61.444531
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -81.979562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.979562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.979562 (E_RNA)
where:
Base-Base interactions energy: -31.830
where: short stacking energy: -31.830
Base-Backbone interact. energy: -0.007
local terms energy: -50.142337
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -2.832
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: 8
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -70.407682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.407682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.407682 (E_RNA)
where:
Base-Base interactions energy: -19.846
where: short stacking energy: -19.846
Base-Backbone interact. energy: 0.474
local terms energy: -51.035004
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -0.257
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: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -76.775416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.775416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.775416 (E_RNA)
where:
Base-Base interactions energy: -36.141
where: short stacking energy: -34.513
Base-Backbone interact. energy: -0.095
local terms energy: -40.539172
where:
bonds (distance) C4'-P energy: -8.703
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -5.429
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -5.987
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)
��������DONE
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DONE
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DONE
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DONE
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DONE
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DONE
��������DONE
DONE
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DONE
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DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -216.390653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390653 (E_RNA)
where:
Base-Base interactions energy: -138.586
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.015
local terms energy: -77.790453
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -217.033466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.033466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.033466 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -68.724
Base-Backbone interact. energy: -0.483
local terms energy: -82.165364
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -205.724869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.724869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724869 (E_RNA)
where:
Base-Base interactions energy: -129.925
where: short stacking energy: -56.561
Base-Backbone interact. energy: -0.090
local terms energy: -75.709502
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.373
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -14.141
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: 4, replica: 1
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -207.843812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.843812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.843812 (E_RNA)
where:
Base-Base interactions energy: -139.896
where: short stacking energy: -68.317
Base-Backbone interact. energy: -0.039
local terms energy: -67.908967
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -200.059757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.059757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.059757 (E_RNA)
where:
Base-Base interactions energy: -129.344
where: short stacking energy: -63.113
Base-Backbone interact. energy: -0.007
local terms energy: -70.709114
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -21.043
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: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -101.773983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.773983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.773983 (E_RNA)
where:
Base-Base interactions energy: -43.048
where: short stacking energy: -43.048
Base-Backbone interact. energy: -0.062
local terms energy: -58.663225
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -11.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -87.652909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.652909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.652909 (E_RNA)
where:
Base-Base interactions energy: -37.850
where: short stacking energy: -36.427
Base-Backbone interact. energy: -0.031
local terms energy: -49.772031
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -98.013206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.013206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.013206 (E_RNA)
where:
Base-Base interactions energy: -48.739
where: short stacking energy: -26.712
Base-Backbone interact. energy: -0.226
local terms energy: -49.047738
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -7.020
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: 9, replica: 10
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -73.693163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.693163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.693163 (E_RNA)
where:
Base-Base interactions energy: -33.275
where: short stacking energy: -22.190
Base-Backbone interact. energy: -0.900
local terms energy: -39.518876
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: 1.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -83.089616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.089616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.089616 (E_RNA)
where:
Base-Base interactions energy: -28.488
where: short stacking energy: -16.844
Base-Backbone interact. energy: -0.223
local terms energy: -54.378764
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -7.345
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)